#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk1 s ASN 2 N 0.00 4.03 -0.29 6.43 0.01 -0.09 -3.79 114.94 121.24 1gk1 s ASN 2 Ca 0.00 -0.87 -0.14 0.00 -0.71 0.00 0.00 52.86 51.14 1gk1 s ASN 2 Cb 0.00 -0.55 0.10 0.00 0.41 0.00 0.00 41.25 41.22 1gk1 s ASN 2 CO 0.00 0.00 0.71 -0.94 -1.51 0.00 0.00 177.10 175.36 1gk1 s SER 3 N -3.59 -0.96 0.03 -1.22 1.04 -0.89 -3.24 113.70 104.86 1gk1 s SER 3 Ca 0.31 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.24 1gk1 s SER 3 Cb -0.05 1.64 -0.02 0.00 0.10 0.00 0.00 66.02 67.69 1gk1 s SER 3 CO 0.17 -0.22 -0.11 0.26 0.98 0.00 0.00 173.24 174.32 1gk1 s TRP 4 N 1.99 1.00 -0.09 5.02 0.51 -1.24 -2.49 118.94 123.64 1gk1 s TRP 4 Ca -0.09 -0.34 -0.04 0.00 -2.12 0.00 0.00 56.10 53.52 1gk1 s TRP 4 Cb -0.07 -0.60 0.05 0.00 -0.81 0.00 0.00 33.47 32.04 1gk1 s TRP 4 CO -0.19 0.00 0.17 0.00 -0.51 0.00 0.00 176.95 176.43 1gk1 s ALA 5 N -0.82 -0.26 -0.10 0.98 0.00 -0.98 -0.90 121.76 119.68 1gk1 s ALA 5 Ca -0.01 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1gk1 s ALA 5 Cb -0.07 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1gk1 s ALA 5 CO 0.01 -0.44 -0.18 0.08 0.00 0.00 0.00 175.76 175.22 1gk1 s VAL 6 N 1.94 2.59 0.65 0.00 1.01 -0.04 -1.48 120.40 125.07 1gk1 s VAL 6 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1gk1 s VAL 6 Cb -0.12 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1gk1 s VAL 6 CO -0.06 0.55 1.05 0.00 0.00 0.00 0.00 175.10 176.64 1gk1 s ALA 7 N 0.18 2.73 0.25 5.51 0.00 0.10 -2.03 121.76 128.50 1gk1 s ALA 7 Ca -0.11 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1gk1 s ALA 7 Cb -0.16 -3.19 0.43 0.00 0.00 0.00 0.00 23.12 20.21 1gk1 s ALA 7 CO 0.06 -1.02 1.78 -1.35 0.00 0.00 0.00 175.76 175.23 1gk1 h PRO 8 N -0.23 0.62 0.00 0.00 0.11 -1.80 -2.01 132.00 128.68 1gk1 h PRO 8 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gk1 h PRO 8 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1gk1 h PRO 8 CO 0.57 0.41 0.09 0.78 -0.21 0.00 0.00 178.00 179.65 1gk1 h GLY 9 N 0.64 0.00 -1.64 -0.55 0.00 -1.93 -0.16 103.07 99.43 1gk1 h GLY 9 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1gk1 h GLY 9 CO -0.31 0.00 -0.01 1.17 0.00 0.00 0.00 176.54 177.39 1gk1 n LYS 10 N -2.39 1.85 -4.08 4.80 4.81 -0.76 -4.86 118.16 117.53 1gk1 n LYS 10 Ca -0.02 -1.71 -0.22 0.00 -0.87 0.00 0.00 58.31 55.49 1gk1 n LYS 10 Cb 0.13 -1.39 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 1gk1 n LYS 10 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1gk1 s THR 11 N -1.73 3.58 0.04 3.15 -4.23 -0.07 -1.90 115.64 114.49 1gk1 s THR 11 Ca 0.24 -1.60 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 1gk1 s THR 11 Cb 0.17 -3.10 -0.17 0.00 1.34 0.00 0.00 72.50 70.74 1gk1 s THR 11 CO 0.26 -0.26 1.24 0.00 -0.54 0.00 0.00 174.62 175.32 1gk1 h ALA 12 N 1.54 0.21 -0.01 3.99 0.00 -0.98 -3.33 119.26 120.69 1gk1 h ALA 12 Ca -0.45 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1gk1 h ALA 12 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1gk1 h ALA 12 CO 0.61 0.35 -0.37 0.09 0.00 0.00 0.00 179.25 179.93 1gk1 n ASN 13 N -4.27 0.89 0.00 0.00 3.02 -1.26 -4.97 115.26 108.67 1gk1 n ASN 13 Ca -0.08 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1gk1 n ASN 13 Cb 0.57 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1gk1 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk1 n GLY 14 N 1.40 0.59 3.50 7.41 0.00 -1.25 -5.07 105.19 111.77 1gk1 n GLY 14 Ca 0.10 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1gk1 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gk1 s ASN 15 N -2.59 4.01 0.51 1.61 0.02 -1.26 -4.63 114.94 112.61 1gk1 s ASN 15 Ca 0.00 -0.38 -0.21 0.00 -1.02 0.00 0.00 52.86 51.25 1gk1 s ASN 15 Cb 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 41.25 40.49 1gk1 s ASN 15 CO 0.00 0.24 1.13 0.00 0.02 0.00 0.00 177.10 178.50 1gk1 s ALA 16 N -0.99 2.81 0.04 0.60 0.00 -1.26 -4.47 121.76 118.49 1gk1 s ALA 16 Ca 0.16 0.85 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1gk1 s ALA 16 Cb -0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1gk1 s ALA 16 CO 0.07 -0.69 -0.25 -0.51 0.00 0.00 0.00 175.76 174.38 1gk1 s LEU 17 N -3.48 2.15 -0.00 0.00 1.43 -0.86 -0.67 118.68 117.24 1gk1 s LEU 17 Ca 0.69 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1gk1 s LEU 17 Cb -0.25 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1gk1 s LEU 17 CO 0.29 0.25 -0.04 -0.22 0.23 0.00 0.00 176.35 176.86 1gk1 s LEU 18 N -1.13 2.01 -0.15 1.79 2.96 -0.19 -0.86 118.68 123.11 1gk1 s LEU 18 Ca 0.11 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1gk1 s LEU 18 Cb -0.10 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.43 1gk1 s LEU 18 CO 0.02 0.04 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.66 1gk1 s LEU 19 N -0.12 2.06 -0.26 -0.68 2.96 -0.08 -0.85 118.68 121.71 1gk1 s LEU 19 Ca 0.01 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1gk1 s LEU 19 Cb -0.02 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1gk1 s LEU 19 CO -0.00 0.04 0.09 -1.10 -1.32 0.00 0.00 176.35 174.06 1gk1 s GLN 20 N 1.03 3.70 -0.41 1.98 -0.21 0.48 -3.59 119.66 122.64 1gk1 s GLN 20 Ca -0.02 -0.45 0.09 0.00 0.02 0.00 0.00 55.36 55.00 1gk1 s GLN 20 Cb -0.14 -3.39 0.33 0.00 1.00 0.00 0.00 33.01 30.80 1gk1 s GLN 20 CO -0.06 -0.19 0.90 -1.71 -2.12 0.00 0.00 175.29 172.10 1gk1 n ASN 21 N 4.95 -0.70 -4.75 5.90 4.05 -1.20 -1.52 115.26 121.99 1gk1 n ASN 21 Ca -0.16 -3.31 -0.41 0.00 0.45 0.00 0.00 54.58 51.16 1gk1 n ASN 21 Cb 0.51 0.57 -0.04 0.00 1.23 0.00 0.00 39.78 42.06 1gk1 n ASN 21 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1gk1 s PRO 22 N -1.11 4.55 -0.21 1.20 0.04 -1.24 -0.92 135.00 137.31 1gk1 s PRO 22 Ca 0.32 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1gk1 s PRO 22 Cb 0.31 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1gk1 s PRO 22 CO -0.07 0.06 -0.04 -1.01 0.04 0.00 0.00 177.00 175.98 1gk1 s HIS 23 N -0.85 2.96 0.21 0.56 3.76 -1.26 -3.59 115.29 117.08 1gk1 s HIS 23 Ca 0.48 -0.79 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 1gk1 s HIS 23 Cb -0.34 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.28 1gk1 s HIS 23 CO 0.42 -0.44 0.45 -1.17 -0.85 0.00 0.00 174.74 173.15 1gk1 s LEU 24 N 1.25 0.39 0.37 0.89 2.96 -1.19 -4.50 118.68 118.85 1gk1 s LEU 24 Ca 0.03 -0.78 -0.27 0.00 -0.22 0.00 0.00 54.13 52.89 1gk1 s LEU 24 Cb -0.14 1.76 -0.11 0.00 0.50 0.00 0.00 46.19 48.20 1gk1 s LEU 24 CO -0.01 -1.06 1.32 -0.24 -1.32 0.00 0.00 176.35 175.04 1gk1 n SER 25 N -0.33 2.90 -0.16 3.68 2.88 -1.26 -2.95 113.62 118.38 1gk1 n SER 25 Ca -0.05 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1gk1 n SER 25 Cb 0.62 -1.51 0.49 0.00 -0.75 0.00 0.00 64.21 63.05 1gk1 n SER 25 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1gk1 n TRP 26 N 0.21 0.00 0.00 0.66 7.02 -0.74 -4.33 117.44 120.26 1gk1 n TRP 26 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1gk1 n TRP 26 Cb 0.37 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 1gk1 n TRP 26 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gk1 n THR 27 N -0.88 0.00 -2.03 -0.99 -2.24 -1.26 -5.02 114.28 101.87 1gk1 n THR 27 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1gk1 n THR 27 Cb 0.31 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1gk1 n THR 27 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gk1 s THR 28 N -1.94 3.61 0.16 4.28 2.01 -1.26 -4.92 115.64 117.58 1gk1 s THR 28 Ca 0.00 0.74 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1gk1 s THR 28 Cb 0.00 -3.48 0.07 0.00 0.01 0.00 0.00 72.50 69.10 1gk1 s THR 28 CO 0.00 -0.06 1.67 -2.24 -0.69 0.00 0.00 174.62 173.30 1gk1 h ASP 29 N 9.45 -0.35 0.15 3.53 3.04 -1.95 -2.03 116.42 128.26 1gk1 h ASP 29 Ca -0.39 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1gk1 h ASP 29 Cb 1.17 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.69 1gk1 h ASP 29 CO 0.95 -0.12 0.00 0.00 -2.04 0.00 0.00 179.24 178.03 1gk1 n TYR 30 N -5.29 0.00 0.69 4.15 0.18 -1.26 -2.03 117.16 113.60 1gk1 n TYR 30 Ca 0.01 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.88 1gk1 n TYR 30 Cb 0.20 -0.12 0.08 0.00 -0.38 0.00 0.00 39.34 39.12 1gk1 n TYR 30 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1gk1 n PHE 31 N -1.12 0.02 -2.25 -3.48 3.72 -0.77 -4.74 117.46 108.84 1gk1 n PHE 31 Ca 0.12 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1gk1 n PHE 31 Cb 0.10 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1gk1 n PHE 31 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1gk1 s THR 32 N -1.43 3.60 0.19 4.37 2.01 -0.86 -4.84 115.64 118.68 1gk1 s THR 32 Ca 0.21 1.12 -0.08 0.00 0.31 0.00 0.00 61.69 63.25 1gk1 s THR 32 Cb 0.15 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1gk1 s THR 32 CO 0.22 0.07 0.47 -0.31 -0.69 0.00 0.00 174.62 174.38 1gk1 s TYR 33 N 1.36 3.45 -0.04 4.92 2.02 -1.26 -1.63 117.35 126.16 1gk1 s TYR 33 Ca 0.63 0.74 0.01 0.00 -0.37 0.00 0.00 57.07 58.08 1gk1 s TYR 33 Cb -0.34 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.09 1gk1 s TYR 33 CO 0.29 0.35 -0.06 -0.47 -1.57 0.00 0.00 175.55 174.09 1gk1 s TYR 34 N -1.73 0.83 -0.11 2.71 5.04 0.24 -4.88 117.35 119.45 1gk1 s TYR 34 Ca 0.44 -0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 54.67 1gk1 s TYR 34 Cb -0.12 -0.70 -0.05 0.00 0.35 0.00 0.00 41.96 41.45 1gk1 s TYR 34 CO 0.22 -0.19 0.39 -2.00 -1.34 0.00 0.00 175.55 172.64 1gk1 s GLU 35 N 0.81 4.21 0.23 4.97 2.12 -1.26 -2.11 118.70 127.67 1gk1 s GLU 35 Ca -0.12 0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.37 1gk1 s GLU 35 Cb -0.14 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1gk1 s GLU 35 CO 0.01 0.30 0.50 0.00 -0.54 0.00 0.00 175.26 175.53 1gk1 s ALA 36 N 0.20 -0.50 -0.05 6.30 0.00 -0.44 -5.01 121.76 122.25 1gk1 s ALA 36 Ca 0.22 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1gk1 s ALA 36 Cb -0.15 0.97 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1gk1 s ALA 36 CO 0.08 -0.84 -0.01 -1.58 0.00 0.00 0.00 175.76 173.42 1gk1 s HIS 37 N -3.96 0.55 -0.15 0.00 2.46 -1.26 -1.72 115.29 111.21 1gk1 s HIS 37 Ca 0.17 -0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.61 1gk1 s HIS 37 Cb -0.01 -0.64 0.01 0.00 -0.13 0.00 0.00 32.58 31.81 1gk1 s HIS 37 CO 0.05 -0.23 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.39 1gk1 s LEU 38 N 1.44 2.25 -0.06 8.88 1.02 0.75 -5.00 118.68 127.95 1gk1 s LEU 38 Ca -0.03 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.59 1gk1 s LEU 38 Cb -0.13 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.59 1gk1 s LEU 38 CO -0.03 0.08 -0.16 -0.69 0.02 0.00 0.00 176.35 175.57 1gk1 s VAL 39 N 0.84 1.39 0.14 -1.59 1.01 -1.26 -0.76 120.40 120.16 1gk1 s VAL 39 Ca -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1gk1 s VAL 39 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1gk1 s VAL 39 CO -0.02 0.41 0.08 -0.89 0.00 0.00 0.00 175.10 174.68 1gk1 s THR 40 N 0.35 0.09 0.49 3.92 2.01 0.53 -5.01 115.64 118.02 1gk1 s THR 40 Ca -0.11 -1.89 0.20 0.00 0.31 0.00 0.00 61.69 60.21 1gk1 s THR 40 Cb -0.14 -2.07 0.26 0.00 0.01 0.00 0.00 72.50 70.55 1gk1 s THR 40 CO 0.04 -0.41 2.10 -0.65 -0.69 0.00 0.00 174.62 175.00 1gk1 h PRO 41 N 2.82 0.00 0.00 4.92 0.11 -2.06 -3.04 132.00 134.76 1gk1 h PRO 41 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1gk1 h PRO 41 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gk1 h PRO 41 CO 0.58 0.09 -1.15 -0.25 -0.21 0.00 0.00 178.00 177.06 1gk1 n ASP 42 N -4.14 0.75 -3.60 -2.05 8.00 -1.26 -5.04 116.55 109.21 1gk1 n ASP 42 Ca -0.03 -0.69 -0.07 0.00 0.71 0.00 0.00 54.79 54.71 1gk1 n ASP 42 Cb 0.18 1.11 -0.02 0.00 -0.02 0.00 0.00 41.12 42.37 1gk1 n ASP 42 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gk1 s PHE 43 N -3.11 -0.29 -0.06 1.24 -0.12 -1.15 -5.16 117.98 109.32 1gk1 s PHE 43 Ca 0.05 0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 1gk1 s PHE 43 Cb 0.16 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.17 1gk1 s PHE 43 CO 0.86 -0.76 0.15 -2.00 -0.05 0.00 0.00 175.22 173.42 1gk1 s GLU 44 N -3.36 0.10 -0.01 1.99 2.12 -1.26 -0.35 118.70 117.94 1gk1 s GLU 44 Ca 0.07 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1gk1 s GLU 44 Cb -0.02 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1gk1 s GLU 44 CO -0.05 -0.15 -0.03 0.42 -0.54 0.00 0.00 175.26 174.92 1gk1 s ILE 45 N 1.04 0.25 0.02 -3.70 1.01 0.06 -4.68 121.20 115.19 1gk1 s ILE 45 Ca -0.08 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1gk1 s ILE 45 Cb -0.10 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1gk1 s ILE 45 CO -0.05 0.09 -0.11 -0.47 0.00 0.00 0.00 174.94 174.39 1gk1 s TYR 46 N 0.13 0.98 -5.00 3.97 6.14 -0.43 -0.18 117.35 122.97 1gk1 s TYR 46 Ca -0.01 -0.28 0.00 0.00 0.64 0.00 0.00 57.07 57.42 1gk1 s TYR 46 Cb -0.04 -0.60 0.00 0.00 0.42 0.00 0.00 41.96 41.74 1gk1 s TYR 46 CO -0.00 -0.00 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1gk1 n GLY 47 N 2.30 -0.24 3.60 8.97 0.00 -0.70 -0.86 105.19 118.26 1gk1 n GLY 47 Ca -0.16 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1gk1 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 48 N -1.00 3.04 0.09 4.61 0.00 -0.45 -1.33 121.76 126.72 1gk1 s ALA 48 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 1gk1 s ALA 48 Cb 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.49 1gk1 s ALA 48 CO 0.00 0.34 0.79 -0.08 0.00 0.00 0.00 175.76 176.82 1gk1 s THR 49 N -2.11 0.00 0.31 0.00 -1.32 -0.90 -1.35 115.64 110.28 1gk1 s THR 49 Ca 0.29 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 1gk1 s THR 49 Cb -0.07 -1.21 -0.10 0.00 -1.51 0.00 0.00 72.50 69.61 1gk1 s THR 49 CO 0.18 0.00 1.18 -1.10 -2.21 0.00 0.00 174.62 172.67 1gk1 s GLN 50 N -3.40 4.49 0.39 7.08 1.11 -1.26 -0.59 119.66 127.48 1gk1 s GLN 50 Ca 0.05 1.96 -0.26 0.00 0.01 0.00 0.00 55.36 57.13 1gk1 s GLN 50 Cb -0.01 -3.10 -0.11 0.00 -1.01 0.00 0.00 33.01 28.77 1gk1 s GLN 50 CO -0.08 0.02 1.17 0.44 0.01 0.00 0.00 175.29 176.85 1gk1 n ILE 51 N 0.95 2.36 0.00 1.08 -5.35 -0.65 -1.88 119.36 115.88 1gk1 n ILE 51 Ca -0.00 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1gk1 n ILE 51 Cb 0.44 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 36.95 1gk1 n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gk1 n GLY 52 N 0.96 2.97 3.74 3.28 0.00 -1.26 -4.98 105.19 109.90 1gk1 n GLY 52 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1gk1 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gk1 s LEU 53 N 0.00 4.37 0.00 0.99 1.02 -0.79 -4.97 118.68 119.30 1gk1 s LEU 53 Ca 0.00 1.21 0.28 0.00 0.02 0.00 0.00 54.13 55.64 1gk1 s LEU 53 Cb 0.00 -3.04 1.15 0.00 0.02 0.00 0.00 46.19 44.33 1gk1 s LEU 53 CO 0.00 -0.02 1.83 -0.81 0.02 0.00 0.00 176.35 177.37 1gk1 n PRO 54 N 3.27 0.48 -4.71 1.29 -0.04 -1.26 -4.85 135.00 129.18 1gk1 n PRO 54 Ca -0.04 -0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 62.99 1gk1 n PRO 54 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1gk1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gk1 s VAL 55 N -2.62 1.97 -0.30 0.52 -7.23 -1.26 -5.11 120.40 106.37 1gk1 s VAL 55 Ca 0.24 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 58.77 1gk1 s VAL 55 Cb 0.20 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.43 1gk1 s VAL 55 CO 0.51 0.25 0.90 -0.63 -0.31 0.00 0.00 175.10 175.81 1gk1 s ILE 56 N -0.86 4.70 0.04 -0.62 1.01 -1.26 -4.82 121.20 119.38 1gk1 s ILE 56 Ca 0.10 1.43 -0.03 0.00 0.00 0.00 0.00 60.65 62.15 1gk1 s ILE 56 Cb -0.10 -4.24 -0.28 0.00 0.01 0.00 0.00 42.46 37.86 1gk1 s ILE 56 CO 0.03 -0.31 1.01 0.03 0.00 0.00 0.00 174.94 175.70 1gk1 h ARG 57 N 8.04 0.25 -3.49 2.79 3.08 -1.93 -3.38 114.38 119.75 1gk1 h ARG 57 Ca -0.23 -0.42 -0.74 0.00 0.07 0.00 0.00 59.98 58.67 1gk1 h ARG 57 Cb 1.08 0.16 -0.32 0.00 0.08 0.00 0.00 29.97 30.97 1gk1 h ARG 57 CO 0.94 1.15 0.01 -0.06 -1.07 0.00 0.00 179.97 180.94 1gk1 s PHE 58 N -2.64 3.88 0.27 3.04 0.40 -0.46 -4.59 117.98 117.90 1gk1 s PHE 58 Ca -0.06 -2.76 0.12 0.00 -0.60 0.00 0.00 56.93 53.63 1gk1 s PHE 58 Cb 0.07 -3.45 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 1gk1 s PHE 58 CO 0.87 -0.84 -0.18 0.00 0.70 0.00 0.00 175.22 175.77 1gk1 s ALA 59 N -0.91 2.79 0.06 5.36 0.00 -1.24 -1.34 121.76 126.48 1gk1 s ALA 59 Ca 0.25 -1.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.11 1gk1 s ALA 59 Cb -0.10 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.77 1gk1 s ALA 59 CO -0.09 0.29 0.76 -0.59 0.00 0.00 0.00 175.76 176.12 1gk1 s PHE 60 N -2.44 -0.45 0.00 0.00 -0.12 -0.04 -1.04 117.98 113.90 1gk1 s PHE 60 Ca 0.30 0.31 0.00 0.00 -0.05 0.00 0.00 56.93 57.49 1gk1 s PHE 60 Cb -0.05 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1gk1 s PHE 60 CO 0.15 -0.68 0.00 0.27 -0.05 0.00 0.00 175.22 174.92 1gk1 n ASN 61 N -0.23 0.00 0.15 1.98 0.23 -0.14 -1.31 115.26 115.95 1gk1 n ASN 61 Ca -0.13 -0.16 0.12 0.00 -0.53 0.00 0.00 54.58 53.88 1gk1 n ASN 61 Cb 0.63 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.88 1gk1 n ASN 61 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1gk1 h GLN 62 N 0.00 0.00 0.00 -3.83 1.08 -1.99 -3.32 115.11 107.05 1gk1 h GLN 62 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1gk1 h GLN 62 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1gk1 h GLN 62 CO 0.00 0.00 -1.49 -2.13 -0.95 0.00 0.00 178.83 174.26 1gk1 n ARG 63 N -2.31 1.44 -4.07 1.46 0.63 -1.26 -4.73 116.66 107.82 1gk1 n ARG 63 Ca 0.01 0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.81 1gk1 n ARG 63 Cb 0.16 -1.18 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 1gk1 n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gk1 s MET 64 N -2.17 2.00 -0.12 -0.14 0.23 -1.25 -0.42 119.30 117.42 1gk1 s MET 64 Ca -0.08 -1.78 -0.30 0.00 -1.03 0.00 0.00 55.69 52.50 1gk1 s MET 64 Cb 0.03 0.46 0.12 0.00 -1.53 0.00 0.00 34.83 33.91 1gk1 s MET 64 CO 0.24 -0.84 0.99 0.20 -2.03 0.00 0.00 175.02 173.58 1gk1 s GLY 65 N -3.24 -0.32 0.19 3.16 0.00 -0.35 -0.96 107.32 105.80 1gk1 s GLY 65 Ca 0.30 1.73 -0.00 0.00 0.00 0.00 0.00 44.72 46.74 1gk1 s GLY 65 CO 0.21 0.80 0.09 -0.26 0.00 0.00 0.00 173.10 173.94 1gk1 s ILE 66 N -1.75 0.23 0.12 0.90 -4.36 -0.20 -2.01 121.20 114.12 1gk1 s ILE 66 Ca 0.01 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1gk1 s ILE 66 Cb -0.01 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.38 1gk1 s ILE 66 CO -0.02 -0.19 0.35 0.28 0.24 0.00 0.00 174.94 175.60 1gk1 s THR 67 N -3.98 0.09 0.11 8.37 -1.32 -0.45 -3.63 115.64 114.83 1gk1 s THR 67 Ca 0.33 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 60.14 1gk1 s THR 67 Cb 0.07 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1gk1 s THR 67 CO 0.08 -0.40 -0.15 0.20 -2.21 0.00 0.00 174.62 172.15 1gk1 s ASN 68 N -2.82 1.98 0.06 8.08 -0.87 -1.26 -1.59 114.94 118.53 1gk1 s ASN 68 Ca 0.03 -0.77 -0.02 0.00 -1.57 0.00 0.00 52.86 50.53 1gk1 s ASN 68 Cb 0.03 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.25 41.15 1gk1 s ASN 68 CO -0.12 -0.12 0.01 0.42 -2.57 0.00 0.00 177.10 174.73 1gk1 s THR 69 N -1.92 0.20 -0.01 1.60 -4.23 -0.92 -4.66 115.64 105.70 1gk1 s THR 69 Ca 0.07 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 1gk1 s THR 69 Cb -0.06 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 1gk1 s THR 69 CO 0.03 -0.93 0.94 -0.69 -0.54 0.00 0.00 174.62 173.43 1gk1 s VAL 70 N -3.91 4.90 -0.46 2.29 1.01 -1.26 -0.71 120.40 122.26 1gk1 s VAL 70 Ca 0.07 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.09 1gk1 s VAL 70 Cb 0.07 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1gk1 s VAL 70 CO -0.10 0.17 0.38 -0.46 0.00 0.00 0.00 175.10 175.09 1gk1 n ASN 71 N 3.90 0.55 -2.81 3.32 6.94 -1.26 -4.50 115.26 121.39 1gk1 n ASN 71 Ca 0.05 -0.77 -0.21 0.00 -0.02 0.00 0.00 54.58 53.63 1gk1 n ASN 71 Cb 0.51 0.86 0.04 0.00 -2.36 0.00 0.00 39.78 38.82 1gk1 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gk1 n GLY 72 N 1.08 -0.42 3.69 4.83 0.00 -1.26 -4.87 105.19 108.23 1gk1 n GLY 72 Ca 0.02 0.06 -0.59 0.00 0.00 0.00 0.00 46.02 45.51 1gk1 n GLY 72 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1gk1 n MET 73 N -3.82 0.80 -2.68 1.61 0.00 -1.26 -4.81 117.12 106.96 1gk1 n MET 73 Ca -0.10 0.29 -0.43 0.00 0.00 0.00 0.00 57.70 57.46 1gk1 n MET 73 Cb 0.61 -1.91 -0.01 0.00 0.00 0.00 0.00 33.22 31.91 1gk1 n MET 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1gk1 s VAL 74 N 2.74 4.31 -1.76 1.12 1.01 -1.26 -4.74 120.40 121.81 1gk1 s VAL 74 Ca 0.98 -1.74 0.22 0.00 0.00 0.00 0.00 61.98 61.44 1gk1 s VAL 74 Cb -1.17 -5.07 0.68 0.00 0.00 0.00 0.00 36.38 30.82 1gk1 s VAL 74 CO 0.66 -1.88 1.58 0.61 0.00 0.00 0.00 175.10 176.07 1gk1 n GLY 75 N 5.53 2.56 3.00 4.51 0.00 -1.26 -4.69 105.19 114.84 1gk1 n GLY 75 Ca 0.40 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1gk1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 76 N -1.25 0.34 -0.04 4.61 0.00 -1.26 -0.36 121.76 123.80 1gk1 s ALA 76 Ca 0.51 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1gk1 s ALA 76 Cb 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1gk1 s ALA 76 CO 0.31 -0.04 -0.19 0.99 0.00 0.00 0.00 175.76 176.84 1gk1 s THR 77 N -1.01 1.54 -0.30 0.00 2.01 0.03 -4.97 115.64 112.94 1gk1 s THR 77 Ca -0.08 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1gk1 s THR 77 Cb -0.07 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1gk1 s THR 77 CO -0.00 0.44 0.14 0.20 -0.69 0.00 0.00 174.62 174.71 1gk1 s ASN 78 N -0.01 5.53 -0.15 3.53 0.01 -1.26 -1.16 114.94 121.43 1gk1 s ASN 78 Ca -0.03 -0.41 -0.05 0.00 -0.71 0.00 0.00 52.86 51.65 1gk1 s ASN 78 Cb -0.12 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1gk1 s ASN 78 CO 0.02 -0.15 0.04 -0.31 -1.51 0.00 0.00 177.10 175.19 1gk1 s TYR 79 N 1.63 3.24 -0.27 2.20 1.51 -0.16 -1.13 117.35 124.38 1gk1 s TYR 79 Ca 0.05 0.11 -0.25 0.00 -1.01 0.00 0.00 57.07 55.97 1gk1 s TYR 79 Cb -0.17 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1gk1 s TYR 79 CO 0.06 0.28 0.85 0.50 -1.11 0.00 0.00 175.55 176.13 1gk1 s ARG 80 N -0.11 4.10 0.31 -0.62 3.52 0.09 -1.45 118.95 124.79 1gk1 s ARG 80 Ca 0.06 0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 56.48 1gk1 s ARG 80 Cb -0.12 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 1gk1 s ARG 80 CO 0.01 -0.61 0.56 -0.51 -0.81 0.00 0.00 175.30 173.94 1gk1 s LEU 81 N 2.98 4.03 -0.37 -0.88 1.43 -0.62 -0.08 118.68 125.18 1gk1 s LEU 81 Ca 0.36 0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1gk1 s LEU 81 Cb -0.15 -3.52 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1gk1 s LEU 81 CO 0.10 -0.23 0.14 -0.89 0.23 0.00 0.00 176.35 175.69 1gk1 s THR 82 N -2.15 3.35 0.23 5.49 2.01 -1.26 -4.66 115.64 118.65 1gk1 s THR 82 Ca 0.43 -1.68 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 1gk1 s THR 82 Cb -0.11 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1gk1 s THR 82 CO 0.32 -0.44 0.97 -0.76 -0.69 0.00 0.00 174.62 174.02 1gk1 s LEU 83 N 1.23 4.61 -0.28 4.42 1.43 -1.26 -0.12 118.68 128.71 1gk1 s LEU 83 Ca 0.02 1.98 -0.19 0.00 -1.03 0.00 0.00 54.13 54.91 1gk1 s LEU 83 Cb -0.21 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.52 1gk1 s LEU 83 CO -0.02 0.08 0.90 -1.58 0.23 0.00 0.00 176.35 175.96 1gk1 s GLN 84 N -1.03 0.52 -1.56 1.70 0.74 -0.44 -4.87 119.66 114.72 1gk1 s GLN 84 Ca 0.42 0.81 -0.13 0.00 0.05 0.00 0.00 55.36 56.51 1gk1 s GLN 84 Cb -0.27 0.15 0.10 0.00 1.10 0.00 0.00 33.01 34.09 1gk1 s GLN 84 CO 0.33 -0.09 0.83 -0.25 -0.55 0.00 0.00 175.29 175.55 1gk1 n ASP 85 N 3.44 -3.46 0.00 6.67 8.00 -1.26 -1.21 116.55 128.74 1gk1 n ASP 85 Ca -0.17 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1gk1 n ASP 85 Cb 0.57 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 1gk1 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gk1 n GLY 86 N -1.62 0.91 0.00 0.44 0.00 -1.26 -4.96 105.19 98.71 1gk1 n GLY 86 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1gk1 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gk1 n GLY 87 N -2.15 5.40 3.08 -0.02 0.00 -0.35 -4.55 105.19 106.60 1gk1 n GLY 87 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1gk1 n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1gk1 s TYR 88 N 1.14 0.74 0.03 1.61 1.13 -0.40 -1.32 117.35 120.28 1gk1 s TYR 88 Ca 0.00 -0.53 -0.30 0.00 -1.41 0.00 0.00 57.07 54.83 1gk1 s TYR 88 Cb 0.00 -0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 40.38 1gk1 s TYR 88 CO 0.00 -0.07 1.02 -0.51 -2.51 0.00 0.00 175.55 173.48 1gk1 s LEU 89 N -1.72 4.39 -0.20 -3.49 1.43 0.83 -0.47 118.68 119.44 1gk1 s LEU 89 Ca -0.07 1.75 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 1gk1 s LEU 89 Cb -0.09 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.66 1gk1 s LEU 89 CO 0.00 -0.28 0.28 -0.47 0.23 0.00 0.00 176.35 176.12 1gk1 s TYR 90 N 0.88 -0.49 -1.41 0.29 5.04 0.52 -4.05 117.35 118.12 1gk1 s TYR 90 Ca 0.53 0.62 -0.08 0.00 -2.44 0.00 0.00 57.07 55.70 1gk1 s TYR 90 Cb -0.23 -0.15 0.04 0.00 0.35 0.00 0.00 41.96 41.97 1gk1 s TYR 90 CO 0.29 -0.58 0.91 -0.25 -1.34 0.00 0.00 175.55 174.58 1gk1 n ASP 91 N 5.34 -3.54 0.00 4.32 8.00 -0.68 -1.66 116.55 128.33 1gk1 n ASP 91 Ca -0.05 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1gk1 n ASP 91 Cb 0.50 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 1gk1 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gk1 n GLY 92 N -1.66 0.84 3.29 0.44 0.00 -1.26 -5.01 105.19 101.82 1gk1 n GLY 92 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1gk1 n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gk1 s GLN 93 N -0.14 1.30 -0.29 1.61 -0.21 -0.66 -5.10 119.66 116.16 1gk1 s GLN 93 Ca 0.00 -1.10 -0.28 0.00 0.02 0.00 0.00 55.36 54.00 1gk1 s GLN 93 Cb 0.00 -1.52 0.01 0.00 1.00 0.00 0.00 33.01 32.50 1gk1 s GLN 93 CO 0.00 0.37 1.04 0.08 -2.12 0.00 0.00 175.29 174.66 1gk1 s VAL 94 N -0.99 4.59 0.05 1.09 1.01 -1.26 -0.36 120.40 124.54 1gk1 s VAL 94 Ca 0.08 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1gk1 s VAL 94 Cb -0.10 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1gk1 s VAL 94 CO 0.03 -0.36 0.14 -0.13 0.00 0.00 0.00 175.10 174.78 1gk1 s ARG 95 N 3.44 3.16 0.36 2.72 1.81 0.38 -4.89 118.95 125.94 1gk1 s ARG 95 Ca 0.44 -0.54 -0.11 0.00 -1.72 0.00 0.00 55.73 53.80 1gk1 s ARG 95 Cb -0.13 -2.89 -0.07 0.00 -0.45 0.00 0.00 34.95 31.40 1gk1 s ARG 95 CO 0.12 0.60 0.72 -1.25 -0.68 0.00 0.00 175.30 174.81 1gk1 s PRO 96 N -2.31 3.82 0.48 3.54 0.04 -1.26 -1.27 135.00 138.04 1gk1 s PRO 96 Ca 0.30 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1gk1 s PRO 96 Cb -0.12 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 1gk1 s PRO 96 CO 0.23 0.07 0.86 -0.06 0.04 0.00 0.00 177.00 178.14 1gk1 s PHE 97 N -2.19 3.51 -0.32 0.56 0.08 -1.26 -4.90 117.98 113.46 1gk1 s PHE 97 Ca 0.51 1.12 -0.13 0.00 0.12 0.00 0.00 56.93 58.55 1gk1 s PHE 97 Cb -0.10 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1gk1 s PHE 97 CO 0.27 -0.30 0.26 -2.00 -0.10 0.00 0.00 175.22 173.35 1gk1 s GLU 98 N -4.31 3.68 0.13 0.44 2.12 -0.30 -4.89 118.70 115.58 1gk1 s GLU 98 Ca 0.53 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.46 1gk1 s GLU 98 Cb -0.10 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1gk1 s GLU 98 CO 0.38 -0.37 0.07 1.03 -0.54 0.00 0.00 175.26 175.83 1gk1 s ARG 99 N 1.82 2.74 -0.14 4.30 0.52 -1.26 -1.19 118.95 125.74 1gk1 s ARG 99 Ca 0.08 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 1gk1 s ARG 99 Cb -0.17 -2.59 0.06 0.00 0.52 0.00 0.00 34.95 32.77 1gk1 s ARG 99 CO 0.11 0.51 0.32 0.50 0.02 0.00 0.00 175.30 176.75 1gk1 s ARG 100 N -2.78 0.27 -0.43 3.54 3.52 -0.39 -4.97 118.95 117.71 1gk1 s ARG 100 Ca 0.29 0.69 -0.21 0.00 -0.13 0.00 0.00 55.73 56.37 1gk1 s ARG 100 Cb -0.11 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1gk1 s ARG 100 CO 0.21 -0.18 0.65 -0.65 -0.81 0.00 0.00 175.30 174.52 1gk1 s GLN 101 N 1.57 3.33 0.50 5.12 -1.52 -1.26 -0.64 119.66 126.75 1gk1 s GLN 101 Ca -0.07 -0.31 0.02 0.00 -1.95 0.00 0.00 55.36 53.04 1gk1 s GLN 101 Cb -0.10 -3.94 0.02 0.00 -0.22 0.00 0.00 33.01 28.77 1gk1 s GLN 101 CO -0.10 -0.99 0.15 0.00 -0.25 0.00 0.00 175.29 174.09 1gk1 n ALA 102 N 6.28 0.56 -3.45 6.09 0.00 0.49 -4.99 120.51 125.48 1gk1 n ALA 102 Ca -0.01 -2.13 -0.14 0.00 0.00 0.00 0.00 53.44 51.16 1gk1 n ALA 102 Cb 0.48 1.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.96 1gk1 n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gk1 s SER 103 N -3.80 -0.59 0.11 0.00 0.15 -1.26 -0.88 113.70 107.44 1gk1 s SER 103 Ca 0.11 0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 1gk1 s SER 103 Cb -0.01 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1gk1 s SER 103 CO 0.07 -0.87 0.37 -0.72 1.20 0.00 0.00 173.24 173.30 1gk1 s TYR 104 N -3.05 -0.16 0.12 3.44 -0.85 -0.65 -4.92 117.35 111.28 1gk1 s TYR 104 Ca -0.02 -0.14 -0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1gk1 s TYR 104 Cb -0.01 0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 1gk1 s TYR 104 CO -0.07 -0.66 0.37 1.03 -1.52 0.00 0.00 175.55 174.70 1gk1 s ARG 105 N -3.65 3.63 -0.11 -3.49 0.52 -1.26 -0.83 118.95 113.75 1gk1 s ARG 105 Ca 0.02 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1gk1 s ARG 105 Cb 0.02 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.62 1gk1 s ARG 105 CO -0.11 0.50 -0.10 -1.17 0.02 0.00 0.00 175.30 174.44 1gk1 s LEU 106 N -2.49 1.39 0.14 2.53 2.96 -0.46 -4.95 118.68 117.79 1gk1 s LEU 106 Ca 0.39 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.65 1gk1 s LEU 106 Cb -0.12 -0.93 -0.07 0.00 0.50 0.00 0.00 46.19 45.57 1gk1 s LEU 106 CO 0.23 -0.08 1.07 -0.60 -1.32 0.00 0.00 176.35 175.65 1gk1 s ARG 107 N 1.47 4.60 0.56 1.98 3.52 -1.26 -2.05 118.95 127.76 1gk1 s ARG 107 Ca 0.01 1.64 -0.02 0.00 -0.13 0.00 0.00 55.73 57.23 1gk1 s ARG 107 Cb -0.13 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1gk1 s ARG 107 CO -0.07 0.07 0.81 -0.65 -0.81 0.00 0.00 175.30 174.66 1gk1 s GLN 108 N -0.05 2.70 0.53 5.12 -1.52 0.71 -4.98 119.66 122.16 1gk1 s GLN 108 Ca 0.50 -0.46 0.22 0.00 -1.95 0.00 0.00 55.36 53.67 1gk1 s GLN 108 Cb -0.27 -2.41 1.42 0.00 -0.22 0.00 0.00 33.01 31.53 1gk1 s GLN 108 CO 0.33 -0.68 2.14 0.00 -0.25 0.00 0.00 175.29 176.82 1gk1 h ALA 109 N -0.01 1.67 -0.00 6.09 0.00 -1.96 -1.97 119.26 123.09 1gk1 h ALA 109 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gk1 h ALA 109 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1gk1 h ALA 109 CO 0.57 0.07 -0.12 -0.40 0.00 0.00 0.00 179.25 179.37 1gk1 n ASP 110 N -4.13 0.15 0.00 0.00 5.68 -1.26 -4.93 116.55 112.05 1gk1 n ASP 110 Ca -0.03 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1gk1 n ASP 110 Cb 0.14 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1gk1 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gk1 n GLY 111 N 1.47 0.77 3.96 6.12 0.00 -0.74 -5.10 105.19 111.68 1gk1 n GLY 111 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1gk1 n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gk1 s THR 112 N -2.06 2.26 0.16 2.61 -4.23 -1.26 -4.77 115.64 108.35 1gk1 s THR 112 Ca 0.00 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1gk1 s THR 112 Cb 0.00 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1gk1 s THR 112 CO 0.00 0.00 -0.15 0.42 -0.54 0.00 0.00 174.62 174.35 1gk1 s THR 113 N -3.21 1.60 0.10 3.99 -4.23 -1.26 -0.20 115.64 112.42 1gk1 s THR 113 Ca 0.64 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 1gk1 s THR 113 Cb -0.08 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1gk1 s THR 113 CO 0.45 -0.46 -0.19 0.68 -0.54 0.00 0.00 174.62 174.56 1gk1 s VAL 114 N -2.44 1.53 -0.16 2.29 -7.23 -0.87 -4.94 120.40 108.58 1gk1 s VAL 114 Ca 0.16 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 1gk1 s VAL 114 Cb -0.03 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1gk1 s VAL 114 CO 0.05 -0.14 0.45 -1.81 -0.31 0.00 0.00 175.10 173.34 1gk1 s ASP 115 N -1.94 6.57 -0.15 4.85 1.01 -1.26 -1.36 116.67 124.39 1gk1 s ASP 115 Ca 0.05 0.68 0.01 0.00 0.71 0.00 0.00 52.55 54.00 1gk1 s ASP 115 Cb -0.09 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 1gk1 s ASP 115 CO 0.04 -0.05 -0.16 -0.54 0.21 0.00 0.00 175.17 174.66 1gk1 s LYS 116 N 1.00 3.20 0.50 8.23 1.02 -0.01 -4.99 119.74 128.70 1gk1 s LYS 116 Ca 0.23 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 1gk1 s LYS 116 Cb -0.15 -2.59 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 1gk1 s LYS 116 CO 0.09 0.04 1.02 -1.25 -0.92 0.00 0.00 175.35 174.33 1gk1 s PRO 117 N 0.75 3.80 -0.14 -1.68 0.04 -1.26 -1.63 135.00 134.88 1gk1 s PRO 117 Ca -0.07 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1gk1 s PRO 117 Cb -0.16 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1gk1 s PRO 117 CO 0.01 -0.42 0.15 -1.17 0.04 0.00 0.00 177.00 175.61 1gk1 s LEU 118 N -3.70 0.05 -0.10 -3.56 2.96 -0.05 -4.90 118.68 109.38 1gk1 s LEU 118 Ca 0.65 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 54.27 1gk1 s LEU 118 Cb -0.14 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 1gk1 s LEU 118 CO 0.23 -0.30 0.49 -0.70 -1.32 0.00 0.00 176.35 174.75 1gk1 s GLU 119 N 2.25 4.31 -0.30 1.98 2.12 -1.26 -0.38 118.70 127.41 1gk1 s GLU 119 Ca 0.04 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.80 1gk1 s GLU 119 Cb -0.14 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.86 1gk1 s GLU 119 CO -0.08 0.22 0.05 0.42 -0.54 0.00 0.00 175.26 175.33 1gk1 s ILE 120 N 0.42 3.59 0.02 -3.70 1.01 0.19 -4.96 121.20 117.78 1gk1 s ILE 120 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1gk1 s ILE 120 Cb -0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1gk1 s ILE 120 CO 0.11 -0.01 0.00 -0.13 0.00 0.00 0.00 174.94 174.91 1gk1 s ARG 121 N 1.41 2.73 -0.01 2.79 0.52 -1.26 -1.26 118.95 123.86 1gk1 s ARG 121 Ca -0.00 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1gk1 s ARG 121 Cb -0.18 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1gk1 s ARG 121 CO 0.01 0.60 0.02 -1.12 0.02 0.00 0.00 175.30 174.83 1gk1 s SER 122 N -1.76 -0.01 0.28 0.23 0.01 -0.33 -0.75 113.70 111.37 1gk1 s SER 122 Ca 0.21 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1gk1 s SER 122 Cb -0.12 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.19 1gk1 s SER 122 CO 0.12 -0.02 0.35 -1.54 0.41 0.00 0.00 173.24 172.57 1gk1 n SER 123 N 3.17 1.17 0.28 2.44 3.41 -0.70 -1.14 113.62 122.24 1gk1 n SER 123 Ca -0.13 -1.77 0.15 0.00 -0.26 0.00 0.00 58.87 56.85 1gk1 n SER 123 Cb 0.59 -0.17 0.79 0.00 -0.26 0.00 0.00 64.21 65.16 1gk1 n SER 123 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1gk1 h VAL 124 N 0.15 0.41 -0.04 -3.33 3.04 -1.98 -2.89 116.25 111.61 1gk1 h VAL 124 Ca -0.14 -0.46 -0.06 0.00 -1.01 0.00 0.00 66.70 65.03 1gk1 h VAL 124 Cb 0.60 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1gk1 h VAL 124 CO 0.20 0.09 -0.23 0.45 -1.01 0.00 0.00 177.57 177.07 1gk1 h HIS 125 N 0.00 0.31 0.00 3.17 3.86 -1.95 -3.50 115.15 117.04 1gk1 h HIS 125 Ca -0.00 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1gk1 h HIS 125 Cb 0.31 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1gk1 h HIS 125 CO 0.00 0.86 0.00 0.41 0.86 0.00 0.00 177.93 180.06 1gk1 n GLY 126 N 0.75 -0.63 3.68 2.45 0.00 -1.09 -4.32 105.19 106.02 1gk1 n GLY 126 Ca -0.09 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1gk1 n GLY 126 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gk1 n PRO 127 N 0.00 1.91 -4.19 1.61 -0.02 -1.24 -1.72 135.00 131.35 1gk1 n PRO 127 Ca 0.00 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1gk1 n PRO 127 Cb 0.00 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.11 1gk1 n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gk1 s VAL 128 N -1.14 4.31 0.04 -1.45 1.01 0.07 -1.15 120.40 122.09 1gk1 s VAL 128 Ca 0.58 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1gk1 s VAL 128 Cb -0.56 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1gk1 s VAL 128 CO 0.60 0.47 -0.25 -0.36 0.00 0.00 0.00 175.10 175.56 1gk1 s PHE 129 N 0.44 2.18 -0.17 5.22 0.40 0.24 -4.67 117.98 121.62 1gk1 s PHE 129 Ca -0.00 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1gk1 s PHE 129 Cb -0.13 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1gk1 s PHE 129 CO 0.02 0.10 0.05 -2.00 0.70 0.00 0.00 175.22 174.09 1gk1 s GLU 130 N -1.16 3.83 0.72 0.44 2.12 -1.26 0.23 118.70 123.61 1gk1 s GLU 130 Ca 0.10 -0.35 -0.07 0.00 0.36 0.00 0.00 54.97 55.01 1gk1 s GLU 130 Cb -0.10 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.22 1gk1 s GLU 130 CO 0.02 0.34 1.03 1.03 -0.54 0.00 0.00 175.26 177.13 1gk1 s ARG 131 N 0.17 2.11 0.15 4.30 0.52 0.13 -4.94 118.95 121.38 1gk1 s ARG 131 Ca 0.04 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 1gk1 s ARG 131 Cb -0.12 -2.16 0.05 0.00 0.52 0.00 0.00 34.95 33.24 1gk1 s ARG 131 CO 0.01 -1.30 1.76 0.00 0.02 0.00 0.00 175.30 175.79 1gk1 h ALA 132 N -0.64 0.43 0.00 2.13 0.00 -1.99 -0.72 119.26 118.47 1gk1 h ALA 132 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gk1 h ALA 132 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gk1 h ALA 132 CO 0.58 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 1gk1 n ASP 133 N -4.98 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 111.16 1gk1 n ASP 133 Ca 0.01 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1gk1 n ASP 133 Cb 0.11 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1gk1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gk1 n GLY 134 N -0.23 0.83 3.69 6.12 0.00 -0.28 -5.04 105.19 110.28 1gk1 n GLY 134 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1gk1 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gk1 s THR 135 N -2.22 2.59 -0.20 2.61 2.01 -1.26 -4.62 115.64 114.55 1gk1 s THR 135 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 1gk1 s THR 135 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1gk1 s THR 135 CO 0.00 0.00 0.69 0.00 -0.69 0.00 0.00 174.62 174.62 1gk1 s ALA 136 N 2.69 3.55 -0.05 7.40 0.00 -1.26 -0.70 121.76 133.39 1gk1 s ALA 136 Ca 0.80 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.62 1gk1 s ALA 136 Cb -0.45 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1gk1 s ALA 136 CO 0.36 -0.61 -0.24 0.08 0.00 0.00 0.00 175.76 175.34 1gk1 s VAL 137 N 2.05 1.96 -0.13 0.00 1.01 0.14 -1.59 120.40 123.84 1gk1 s VAL 137 Ca 0.31 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1gk1 s VAL 137 Cb -0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1gk1 s VAL 137 CO 0.11 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.66 1gk1 s ALA 138 N -0.24 2.78 -0.23 5.51 0.00 -0.53 0.82 121.76 129.87 1gk1 s ALA 138 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1gk1 s ALA 138 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1gk1 s ALA 138 CO 0.02 0.26 0.08 0.08 0.00 0.00 0.00 175.76 176.20 1gk1 s VAL 139 N 0.27 4.57 -0.26 0.00 1.01 -0.30 -0.98 120.40 124.70 1gk1 s VAL 139 Ca -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1gk1 s VAL 139 Cb -0.15 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1gk1 s VAL 139 CO 0.04 0.37 -0.00 -0.60 0.00 0.00 0.00 175.10 174.91 1gk1 s ARG 140 N 1.20 3.04 -0.13 2.72 3.52 -0.31 -3.68 118.95 125.31 1gk1 s ARG 140 Ca 0.05 -0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1gk1 s ARG 140 Cb -0.14 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1gk1 s ARG 140 CO 0.04 -0.38 -0.00 0.08 -0.81 0.00 0.00 175.30 174.22 1gk1 s VAL 141 N 1.42 4.22 0.51 7.11 1.01 -1.26 -0.79 120.40 132.62 1gk1 s VAL 141 Ca 0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1gk1 s VAL 141 Cb -0.16 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 1gk1 s VAL 141 CO -0.01 0.54 0.97 0.00 0.00 0.00 0.00 175.10 176.59 1gk1 s ALA 142 N -0.22 3.09 -1.20 5.51 0.00 0.51 -4.27 121.76 125.20 1gk1 s ALA 142 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 1gk1 s ALA 142 Cb -0.12 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1gk1 s ALA 142 CO 0.02 -0.24 0.02 0.41 0.00 0.00 0.00 175.76 175.98 1gk1 n GLY 143 N -1.61 -0.21 0.00 0.00 0.00 -1.26 -4.88 105.19 97.22 1gk1 n GLY 143 Ca 0.06 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1gk1 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gk1 n LEU 144 N -2.07 0.00 -0.74 0.99 4.77 -1.26 -2.46 117.00 116.24 1gk1 n LEU 144 Ca -0.16 0.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.92 1gk1 n LEU 144 Cb 0.62 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.87 1gk1 n LEU 144 CO 0.20 -0.01 0.63 -0.90 -1.33 0.00 0.00 177.39 175.98 1gk1 n ASP 145 N -1.05 2.80 -4.01 -1.43 5.75 -1.26 -4.86 116.55 112.49 1gk1 n ASP 145 Ca 0.18 -3.38 -0.32 0.00 -0.01 0.00 0.00 54.79 51.25 1gk1 n ASP 145 Cb 0.11 -0.54 -0.11 0.00 -1.03 0.00 0.00 41.12 39.54 1gk1 n ASP 145 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gk1 s ARG 146 N -3.02 2.41 0.00 0.11 1.81 -1.03 -4.95 118.95 114.28 1gk1 s ARG 146 Ca 0.40 -2.80 0.28 0.00 -1.72 0.00 0.00 55.73 51.89 1gk1 s ARG 146 Cb 0.35 -3.55 1.15 0.00 -0.45 0.00 0.00 34.95 32.46 1gk1 s ARG 146 CO 0.03 -1.18 1.85 -0.35 -0.68 0.00 0.00 175.30 174.97 1gk1 n PRO 147 N 2.93 0.13 -0.69 3.54 -0.04 -1.26 -4.25 135.00 135.36 1gk1 n PRO 147 Ca 0.10 -0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1gk1 n PRO 147 Cb 0.35 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1gk1 n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gk1 n GLY 148 N 1.45 3.44 0.28 0.55 0.00 -1.26 -4.58 105.19 105.06 1gk1 n GLY 148 Ca 0.09 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 1gk1 n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gk1 h MET 149 N 0.64 -0.60 -0.73 1.61 4.05 -1.74 -0.43 114.93 117.73 1gk1 h MET 149 Ca 0.34 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 1gk1 h MET 149 Cb 1.88 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.78 1gk1 h MET 149 CO 0.62 -0.40 0.42 -0.07 0.23 0.00 0.00 176.91 177.71 1gk1 h LEU 150 N -0.62 0.89 -0.88 3.39 3.38 -1.89 -2.64 115.31 116.93 1gk1 h LEU 150 Ca -0.06 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1gk1 h LEU 150 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gk1 h LEU 150 CO 0.08 0.71 -0.43 -0.08 0.09 0.00 0.00 178.44 178.81 1gk1 h GLU 151 N 1.00 0.28 -0.40 1.13 4.81 -1.87 -2.17 114.58 117.37 1gk1 h GLU 151 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1gk1 h GLU 151 Cb -0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1gk1 h GLU 151 CO -0.05 0.67 0.08 0.37 -0.73 0.00 0.00 179.01 179.35 1gk1 h GLN 152 N 0.24 0.65 -0.85 1.92 4.15 -0.76 0.05 115.11 120.51 1gk1 h GLN 152 Ca 0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1gk1 h GLN 152 Cb 0.85 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 1gk1 h GLN 152 CO 0.07 0.69 0.42 1.88 -1.93 0.00 0.00 178.83 179.95 1gk1 h TYR 153 N 0.51 1.22 -0.43 3.99 0.05 -1.37 0.35 116.97 121.30 1gk1 h TYR 153 Ca 0.12 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1gk1 h TYR 153 Cb 0.34 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1gk1 h TYR 153 CO 0.02 0.88 0.25 0.35 -1.05 0.00 0.00 178.16 178.61 1gk1 h PHE 154 N 1.21 0.57 0.00 4.88 3.57 -1.07 -0.88 116.94 125.22 1gk1 h PHE 154 Ca 0.29 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1gk1 h PHE 154 Cb 0.11 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1gk1 h PHE 154 CO 0.01 0.41 -0.31 -0.44 -2.23 0.00 0.00 178.31 175.75 1gk1 h ASP 155 N 0.56 0.00 0.15 0.41 3.32 -0.51 -2.69 116.42 117.67 1gk1 h ASP 155 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1gk1 h ASP 155 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1gk1 h ASP 155 CO -0.03 0.31 -0.07 0.24 -1.72 0.00 0.00 179.24 177.97 1gk1 h MET 156 N 0.00 -0.20 0.00 3.56 2.86 -0.37 -2.58 114.93 118.21 1gk1 h MET 156 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1gk1 h MET 156 Cb 0.74 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1gk1 h MET 156 CO 0.04 0.24 0.00 0.44 1.06 0.00 0.00 176.91 178.69 1gk1 n ILE 157 N -4.92 0.09 0.01 -1.22 -5.35 -0.39 -2.30 119.36 105.28 1gk1 n ILE 157 Ca -0.08 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1gk1 n ILE 157 Cb 0.27 -0.71 0.01 0.00 -1.74 0.00 0.00 39.64 37.47 1gk1 n ILE 157 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1gk1 n THR 158 N -1.06 0.55 -1.76 7.28 5.66 -1.02 -4.91 114.28 119.02 1gk1 n THR 158 Ca 0.14 -0.77 -0.41 0.00 -3.05 0.00 0.00 64.05 59.96 1gk1 n THR 158 Cb 0.09 0.73 0.01 0.00 -1.55 0.00 0.00 70.33 69.61 1gk1 n THR 158 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gk1 n ALA 159 N -0.23 2.16 0.95 1.79 0.00 -0.97 -4.94 120.51 119.27 1gk1 n ALA 159 Ca 0.01 0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1gk1 n ALA 159 Cb 0.15 -2.40 0.27 0.00 0.00 0.00 0.00 19.45 17.47 1gk1 n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gk1 n ASP 160 N 0.20 0.48 -3.74 0.00 8.00 -1.26 -4.93 116.55 115.29 1gk1 n ASP 160 Ca 0.03 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 1gk1 n ASP 160 Cb 0.40 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1gk1 n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1gk1 s SER 161 N -3.13 -0.32 0.37 -2.24 1.04 -1.26 -5.02 113.70 103.14 1gk1 s SER 161 Ca 0.11 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1gk1 s SER 161 Cb 0.17 0.66 0.72 0.00 0.10 0.00 0.00 66.02 67.68 1gk1 s SER 161 CO 0.69 -1.20 1.96 0.15 0.98 0.00 0.00 173.24 175.82 1gk1 h PHE 162 N 2.05 0.51 -0.42 5.02 3.57 -1.99 -2.00 116.94 123.68 1gk1 h PHE 162 Ca -0.25 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 1gk1 h PHE 162 Cb 1.27 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1gk1 h PHE 162 CO 0.37 0.44 0.19 -0.44 -2.23 0.00 0.00 178.31 176.63 1gk1 h ASP 163 N 0.51 0.56 -0.43 0.41 3.32 -1.99 0.66 116.42 119.46 1gk1 h ASP 163 Ca 0.12 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1gk1 h ASP 163 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1gk1 h ASP 163 CO -0.01 0.54 -0.07 0.44 -1.72 0.00 0.00 179.24 178.42 1gk1 h ASP 164 N 0.54 0.87 -0.16 6.45 3.32 -1.88 -0.65 116.42 124.91 1gk1 h ASP 164 Ca 0.14 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1gk1 h ASP 164 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1gk1 h ASP 164 CO -0.02 0.97 0.10 0.22 -1.72 0.00 0.00 179.24 178.79 1gk1 h TYR 165 N 0.80 0.19 -0.68 4.55 3.20 -1.03 -1.33 116.97 122.66 1gk1 h TYR 165 Ca 0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1gk1 h TYR 165 Cb 0.58 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1gk1 h TYR 165 CO 0.03 0.11 0.29 1.49 -1.64 0.00 0.00 178.16 178.45 1gk1 h GLU 166 N 0.20 0.99 -0.68 1.82 4.81 -0.61 0.14 114.58 121.25 1gk1 h GLU 166 Ca 0.06 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1gk1 h GLU 166 Cb -0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1gk1 h GLU 166 CO -0.02 0.79 0.17 0.00 -0.73 0.00 0.00 179.01 179.23 1gk1 h ALA 167 N 1.34 1.03 -0.01 2.92 0.00 -0.76 -0.55 119.26 123.23 1gk1 h ALA 167 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gk1 h ALA 167 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gk1 h ALA 167 CO -0.02 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 1gk1 h ALA 168 N 1.17 0.01 -0.99 0.00 0.00 -0.66 -2.97 119.26 115.82 1gk1 h ALA 168 Ca 0.22 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1gk1 h ALA 168 Cb 0.34 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1gk1 h ALA 168 CO -0.00 -0.30 0.62 1.25 0.00 0.00 0.00 179.25 180.82 1gk1 h LEU 169 N -0.36 0.83 -0.60 0.00 5.85 -0.79 -1.39 115.31 118.84 1gk1 h LEU 169 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gk1 h LEU 169 Cb 0.38 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1gk1 h LEU 169 CO 0.00 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1gk1 n ALA 170 N -2.35 1.23 0.24 1.25 0.00 -0.23 -2.62 120.51 118.02 1gk1 n ALA 170 Ca 0.21 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1gk1 n ALA 170 Cb 0.47 -1.21 0.58 0.00 0.00 0.00 0.00 19.45 19.29 1gk1 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 h ARG 171 N 0.00 0.00 -5.26 0.00 3.08 -1.30 -3.44 114.38 107.46 1gk1 h ARG 171 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1gk1 h ARG 171 Cb 0.10 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.29 1gk1 h ARG 171 CO 0.00 0.17 -0.66 -1.33 -1.07 0.00 0.00 179.97 177.08 1gk1 n MET 172 N -3.44 -6.24 -0.00 0.04 2.81 -1.08 -4.94 117.12 104.26 1gk1 n MET 172 Ca -0.01 0.75 0.09 0.00 -1.81 0.00 0.00 57.70 56.73 1gk1 n MET 172 Cb 0.35 -5.50 -0.12 0.00 -0.71 0.00 0.00 33.22 27.24 1gk1 n MET 172 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1gk1 n GLN 173 N -3.99 0.63 -3.45 0.03 1.13 -1.26 -4.79 117.38 105.68 1gk1 n GLN 173 Ca -0.18 -0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.40 1gk1 n GLN 173 Cb 0.62 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.44 1gk1 n GLN 173 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1gk1 s VAL 174 N -3.00 5.23 -0.75 5.09 1.01 -1.26 -3.90 120.40 122.81 1gk1 s VAL 174 Ca 0.02 -0.50 0.13 0.00 0.00 0.00 0.00 61.98 61.64 1gk1 s VAL 174 Cb 0.14 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.74 1gk1 s VAL 174 CO 0.80 -0.27 1.41 -0.81 0.00 0.00 0.00 175.10 176.24 1gk1 n PRO 175 N 5.23 0.06 -1.09 2.72 -0.04 -1.26 -4.06 135.00 136.57 1gk1 n PRO 175 Ca -0.11 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1gk1 n PRO 175 Cb 0.48 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1gk1 n PRO 175 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1gk1 n THR 176 N -1.78 0.00 0.00 0.52 5.66 -1.26 -2.24 114.28 115.17 1gk1 n THR 176 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1gk1 n THR 176 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1gk1 n THR 176 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1gk1 n PHE 177 N 0.00 0.00 -3.21 1.09 3.72 -1.22 -4.38 117.46 113.45 1gk1 n PHE 177 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1gk1 n PHE 177 Cb 0.00 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 1gk1 n PHE 177 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1gk1 s ASN 178 N -1.54 7.05 -0.09 4.37 0.02 0.11 -1.97 114.94 122.89 1gk1 s ASN 178 Ca 0.00 1.25 0.01 0.00 -1.02 0.00 0.00 52.86 53.10 1gk1 s ASN 178 Cb 0.00 -2.37 0.02 0.00 0.02 0.00 0.00 41.25 38.91 1gk1 s ASN 178 CO 0.00 0.18 -0.12 -0.63 0.02 0.00 0.00 177.10 176.55 1gk1 s ILE 179 N -0.65 1.21 -0.12 0.60 1.01 -0.24 -2.17 121.20 120.84 1gk1 s ILE 179 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1gk1 s ILE 179 Cb -0.19 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1gk1 s ILE 179 CO 0.19 0.38 -0.10 -0.69 0.00 0.00 0.00 174.94 174.72 1gk1 s VAL 180 N 1.00 3.34 0.12 2.92 1.01 -0.62 -1.18 120.40 126.99 1gk1 s VAL 180 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1gk1 s VAL 180 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1gk1 s VAL 180 CO -0.01 0.53 -0.25 -0.47 0.00 0.00 0.00 175.10 174.91 1gk1 s TYR 181 N 0.10 2.11 -0.23 5.22 6.14 0.16 -1.33 117.35 129.51 1gk1 s TYR 181 Ca -0.04 -0.39 -0.22 0.00 0.64 0.00 0.00 57.07 57.05 1gk1 s TYR 181 Cb -0.14 -1.15 0.06 0.00 0.42 0.00 0.00 41.96 41.15 1gk1 s TYR 181 CO 0.04 0.28 0.63 0.00 0.64 0.00 0.00 175.55 177.14 1gk1 s ALA 182 N -1.10 -1.56 0.29 3.97 0.00 -0.85 -1.05 121.76 121.46 1gk1 s ALA 182 Ca 0.11 1.74 0.03 0.00 0.00 0.00 0.00 51.96 53.84 1gk1 s ALA 182 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1gk1 s ALA 182 CO 0.05 -0.30 0.17 0.16 0.00 0.00 0.00 175.76 175.84 1gk1 s ASP 183 N 0.24 1.27 0.21 0.00 1.47 -0.91 -1.21 116.67 117.75 1gk1 s ASP 183 Ca -0.01 -1.55 0.23 0.00 1.18 0.00 0.00 52.55 52.40 1gk1 s ASP 183 Cb -0.04 0.40 0.91 0.00 -0.34 0.00 0.00 42.92 43.85 1gk1 s ASP 183 CO 0.01 -0.90 1.69 -2.11 0.68 0.00 0.00 175.17 174.54 1gk1 n ARG 184 N -0.52 0.17 0.22 2.11 1.85 0.44 -2.18 116.66 118.75 1gk1 n ARG 184 Ca 0.02 0.36 0.11 0.00 -1.00 0.00 0.00 57.85 57.34 1gk1 n ARG 184 Cb 0.65 -1.80 0.37 0.00 -1.05 0.00 0.00 32.46 30.63 1gk1 n ARG 184 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1gk1 h GLU 185 N 0.00 0.00 0.00 2.89 4.39 -1.92 -3.47 114.58 116.48 1gk1 h GLU 185 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gk1 h GLU 185 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1gk1 h GLU 185 CO 0.00 0.16 0.00 0.41 -1.16 0.00 0.00 179.01 178.42 1gk1 n GLY 186 N 0.54 1.08 3.76 -3.84 0.00 -0.93 -5.06 105.19 100.74 1gk1 n GLY 186 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1gk1 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gk1 s THR 187 N -2.00 4.76 -0.01 2.61 2.01 -1.26 -4.56 115.64 117.19 1gk1 s THR 187 Ca 0.00 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.48 1gk1 s THR 187 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1gk1 s THR 187 CO 0.00 0.42 -0.13 0.27 -0.69 0.00 0.00 174.62 174.50 1gk1 s ILE 188 N -0.34 1.00 -0.02 1.82 -4.36 -1.26 -2.13 121.20 115.91 1gk1 s ILE 188 Ca 0.34 -0.54 -0.07 0.00 -0.26 0.00 0.00 60.65 60.12 1gk1 s ILE 188 Cb -0.20 -0.84 0.01 0.00 1.25 0.00 0.00 42.46 42.68 1gk1 s ILE 188 CO 0.21 0.28 0.16 0.21 0.24 0.00 0.00 174.94 176.04 1gk1 s ASN 189 N -0.30 -0.05 -0.07 4.36 2.47 -0.21 -1.58 114.94 119.57 1gk1 s ASN 189 Ca 0.05 -0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.34 1gk1 s ASN 189 Cb -0.05 0.26 0.01 0.00 -1.45 0.00 0.00 41.25 40.02 1gk1 s ASN 189 CO -0.00 -0.28 -0.16 -0.47 -3.72 0.00 0.00 177.10 172.47 1gk1 s TYR 190 N -0.92 1.75 -0.04 0.43 5.04 0.47 -0.67 117.35 123.41 1gk1 s TYR 190 Ca -0.10 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 53.91 1gk1 s TYR 190 Cb -0.06 -1.22 0.02 0.00 0.35 0.00 0.00 41.96 41.05 1gk1 s TYR 190 CO 0.01 -0.27 -0.04 -1.12 -1.34 0.00 0.00 175.55 172.79 1gk1 s SER 191 N 0.41 0.94 -0.99 4.32 0.01 -0.32 -0.78 113.70 117.28 1gk1 s SER 191 Ca -0.12 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 1gk1 s SER 191 Cb -0.15 -0.43 0.11 0.00 0.21 0.00 0.00 66.02 65.76 1gk1 s SER 191 CO 0.04 -0.06 1.27 0.12 0.41 0.00 0.00 173.24 175.02 1gk1 s PHE 192 N 0.97 2.95 0.41 2.43 5.36 -0.45 -1.07 117.98 128.57 1gk1 s PHE 192 Ca -0.10 -1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 54.54 1gk1 s PHE 192 Cb -0.14 -4.43 -0.04 0.00 -0.34 0.00 0.00 43.02 38.07 1gk1 s PHE 192 CO -0.00 -1.63 0.68 1.21 -1.46 0.00 0.00 175.22 174.02 1gk1 s ASN 193 N 4.02 6.33 0.00 6.13 2.47 -0.83 -4.53 114.94 128.53 1gk1 s ASN 193 Ca 0.38 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.46 1gk1 s ASN 193 Cb -0.03 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1gk1 s ASN 193 CO -0.08 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.48 1gk1 n GLY 194 N -1.81 2.61 3.22 1.21 0.00 -1.26 -3.44 105.19 105.72 1gk1 n GLY 194 Ca -0.01 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 1gk1 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 195 N -1.91 4.16 -0.22 1.61 1.01 -0.95 -4.86 120.40 119.25 1gk1 s VAL 195 Ca 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 61.98 60.24 1gk1 s VAL 195 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1gk1 s VAL 195 CO 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 175.10 174.45 1gk1 s ALA 196 N 1.37 3.13 0.38 5.51 0.00 -1.26 -4.52 121.76 126.37 1gk1 s ALA 196 Ca 0.05 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 1gk1 s ALA 196 Cb -0.25 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 1gk1 s ALA 196 CO -0.00 -0.26 1.15 -1.25 0.00 0.00 0.00 175.76 175.41 1gk1 s PRO 197 N 1.19 4.14 0.01 0.00 0.04 -1.26 0.26 135.00 139.39 1gk1 s PRO 197 Ca 0.04 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1gk1 s PRO 197 Cb -0.14 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1gk1 s PRO 197 CO 0.02 -0.24 1.07 0.15 0.04 0.00 0.00 177.00 178.05 1gk1 s LYS 198 N -2.21 4.49 0.07 4.56 1.02 0.11 -4.78 119.74 123.01 1gk1 s LYS 198 Ca 0.55 1.56 0.10 0.00 0.02 0.00 0.00 55.97 58.20 1gk1 s LYS 198 Cb -0.30 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1gk1 s LYS 198 CO 0.38 -0.16 -0.26 1.03 -0.92 0.00 0.00 175.35 175.41 1gk1 s ARG 199 N 1.16 1.67 0.14 1.68 0.52 -1.26 -4.64 118.95 118.23 1gk1 s ARG 199 Ca 0.54 -1.18 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1gk1 s ARG 199 Cb -0.24 -1.94 -0.16 0.00 0.52 0.00 0.00 34.95 33.12 1gk1 s ARG 199 CO 0.27 0.49 1.31 0.00 0.02 0.00 0.00 175.30 177.39 1gk1 h ALA 200 N 4.52 0.40 -2.88 2.13 0.00 -1.96 -3.48 119.26 118.00 1gk1 h ALA 200 Ca -0.48 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 53.55 1gk1 h ALA 200 Cb 1.15 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1gk1 h ALA 200 CO 0.42 1.16 -0.02 -1.83 0.00 0.00 0.00 179.25 178.98 1gk1 s GLU 201 N -2.76 1.66 0.00 0.00 -1.05 -1.26 -5.15 118.70 110.13 1gk1 s GLU 201 Ca 0.01 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1gk1 s GLU 201 Cb 0.10 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1gk1 s GLU 201 CO 0.81 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 176.72 1gk1 n GLY 202 N -0.42 -0.34 3.94 -3.83 0.00 -1.26 -5.00 105.19 98.28 1gk1 n GLY 202 Ca -0.02 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 1gk1 n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gk1 n ASP 203 N -0.58 1.57 -0.11 1.61 5.68 -1.26 -4.36 116.55 119.11 1gk1 n ASP 203 Ca 0.00 -2.26 0.04 0.00 -0.50 0.00 0.00 54.79 52.07 1gk1 n ASP 203 Cb 0.00 -0.60 0.37 0.00 -1.14 0.00 0.00 41.12 39.75 1gk1 n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1gk1 h ILE 204 N -0.42 1.09 -0.55 2.12 2.10 -1.64 -2.02 117.51 118.19 1gk1 h ILE 204 Ca -0.32 -0.25 -0.07 0.00 1.08 0.00 0.00 64.86 65.31 1gk1 h ILE 204 Cb 1.24 0.31 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 1gk1 h ILE 204 CO 0.37 0.13 0.07 0.00 -1.08 0.00 0.00 178.15 177.64 1gk1 h ALA 205 N 1.65 1.10 -0.21 0.18 0.00 -1.94 -1.89 119.26 118.15 1gk1 h ALA 205 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gk1 h ALA 205 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gk1 h ALA 205 CO -0.06 0.59 0.05 0.35 0.00 0.00 0.00 179.25 180.18 1gk1 h PHE 206 N 0.83 0.35 0.00 0.00 3.57 -1.75 -2.98 116.94 116.96 1gk1 h PHE 206 Ca 0.17 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1gk1 h PHE 206 Cb 0.39 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1gk1 h PHE 206 CO 0.02 0.45 0.00 0.91 -2.23 0.00 0.00 178.31 177.46 1gk1 n TRP 207 N -4.76 0.00 0.05 0.41 7.02 -0.97 -2.95 117.44 116.23 1gk1 n TRP 207 Ca -0.04 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.53 1gk1 n TRP 207 Cb 0.17 -0.31 -0.07 0.00 -2.42 0.00 0.00 31.31 28.68 1gk1 n TRP 207 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1gk1 n GLN 208 N -1.31 0.63 -0.15 -0.99 6.02 -0.73 -4.75 117.38 116.10 1gk1 n GLN 208 Ca 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1gk1 n GLN 208 Cb 0.20 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1gk1 n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gk1 n GLY 209 N 1.26 0.72 3.66 1.08 0.00 -1.15 -4.94 105.19 105.80 1gk1 n GLY 209 Ca -0.04 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1gk1 n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gk1 s LEU 210 N 0.00 4.11 0.06 0.99 1.43 -1.26 -4.50 118.68 119.51 1gk1 s LEU 210 Ca 0.00 1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 54.17 1gk1 s LEU 210 Cb 0.00 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1gk1 s LEU 210 CO 0.00 -0.54 0.45 -0.69 0.23 0.00 0.00 176.35 175.80 1gk1 s VAL 211 N 2.78 4.99 0.08 -1.59 1.01 -0.28 -4.78 120.40 122.62 1gk1 s VAL 211 Ca 0.39 0.74 -0.34 0.00 0.00 0.00 0.00 61.98 62.78 1gk1 s VAL 211 Cb -0.16 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 1gk1 s VAL 211 CO 0.08 0.42 1.69 -2.65 0.00 0.00 0.00 175.10 174.64 1gk1 n PRO 212 N 1.31 2.21 -0.94 2.72 -0.02 -1.26 -0.73 135.00 138.29 1gk1 n PRO 212 Ca -0.10 0.80 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 1gk1 n PRO 212 Cb 0.52 -2.60 0.32 0.00 -0.02 0.00 0.00 33.50 31.72 1gk1 n PRO 212 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk1 n GLY 213 N 3.77 3.60 0.41 -1.23 0.00 0.89 -4.27 105.19 108.35 1gk1 n GLY 213 Ca 0.19 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1gk1 n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gk1 n ASP 214 N -0.05 2.74 -3.71 1.61 5.68 -1.26 -4.70 116.55 116.86 1gk1 n ASP 214 Ca 0.36 -3.18 -0.12 0.00 -0.50 0.00 0.00 54.79 51.35 1gk1 n ASP 214 Cb 1.30 -0.48 -0.13 0.00 -1.14 0.00 0.00 41.12 40.67 1gk1 n ASP 214 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1gk1 s SER 215 N -2.63 -0.16 0.10 -1.12 0.15 -1.26 -1.68 113.70 107.10 1gk1 s SER 215 Ca 0.36 0.59 0.13 0.00 0.70 0.00 0.00 55.95 57.74 1gk1 s SER 215 Cb 0.31 0.53 0.60 0.00 -1.71 0.00 0.00 66.02 65.76 1gk1 s SER 215 CO 0.04 -0.19 1.42 -1.54 1.20 0.00 0.00 173.24 174.17 1gk1 n SER 216 N 4.50 0.22 0.23 5.45 3.41 -1.26 -2.39 113.62 123.77 1gk1 n SER 216 Ca -0.21 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.03 1gk1 n SER 216 Cb 0.52 -0.61 0.53 0.00 -0.26 0.00 0.00 64.21 64.39 1gk1 n SER 216 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gk1 h ARG 217 N 0.00 0.00 -0.36 4.33 2.43 -1.96 -2.64 114.38 116.18 1gk1 h ARG 217 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gk1 h ARG 217 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1gk1 h ARG 217 CO 0.00 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 179.28 1gk1 n TYR 218 N -4.33 0.46 -2.93 2.20 4.01 -1.01 -4.82 117.16 110.75 1gk1 n TYR 218 Ca -0.03 -0.23 -0.44 0.00 -0.16 0.00 0.00 57.90 57.05 1gk1 n TYR 218 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1gk1 n TYR 218 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1gk1 s LEU 219 N -1.52 4.86 0.62 7.72 2.96 -1.00 -5.03 118.68 127.29 1gk1 s LEU 219 Ca 0.38 -1.57 -0.12 0.00 -0.22 0.00 0.00 54.13 52.60 1gk1 s LEU 219 Cb 0.23 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1gk1 s LEU 219 CO 0.32 -1.21 1.03 -1.66 -1.32 0.00 0.00 176.35 173.51 1gk1 s TRP 220 N 3.19 3.40 0.00 5.38 1.48 -1.26 -4.97 118.94 126.16 1gk1 s TRP 220 Ca 0.26 1.38 0.00 0.00 -1.06 0.00 0.00 56.10 56.67 1gk1 s TRP 220 Cb -0.12 -2.80 0.00 0.00 -1.16 0.00 0.00 33.47 29.39 1gk1 s TRP 220 CO 0.00 -0.82 0.00 0.25 -4.06 0.00 0.00 176.95 172.32 1gk1 n THR 221 N -2.59 0.00 -4.27 0.66 -2.24 -1.26 -5.08 114.28 99.50 1gk1 n THR 221 Ca 0.07 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.61 1gk1 n THR 221 Cb 0.54 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 1gk1 n THR 221 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gk1 s GLU 222 N 0.00 2.30 0.10 -0.78 0.41 -1.26 -5.03 118.70 114.44 1gk1 s GLU 222 Ca 0.00 -1.34 0.04 0.00 -0.41 0.00 0.00 54.97 53.27 1gk1 s GLU 222 Cb 0.00 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 1gk1 s GLU 222 CO 0.00 0.39 -0.11 0.95 -0.49 0.00 0.00 175.26 175.99 1gk1 s THR 223 N -2.15 1.05 0.33 3.63 -4.23 -1.26 0.10 115.64 113.11 1gk1 s THR 223 Ca 0.30 -1.62 -0.27 0.00 -1.18 0.00 0.00 61.69 58.93 1gk1 s THR 223 Cb -0.07 -1.36 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 1gk1 s THR 223 CO 0.19 -0.49 1.03 -1.00 -0.54 0.00 0.00 174.62 173.82 1gk1 s HIS 224 N -2.23 3.53 0.68 3.99 3.76 0.14 -4.76 115.29 120.39 1gk1 s HIS 224 Ca 0.05 1.72 -0.07 0.00 -0.15 0.00 0.00 55.06 56.61 1gk1 s HIS 224 Cb -0.04 -3.12 0.04 0.00 1.11 0.00 0.00 32.58 30.57 1gk1 s HIS 224 CO 0.01 -0.32 0.99 -1.25 -0.85 0.00 0.00 174.74 173.32 1gk1 s PRO 225 N -1.93 2.45 0.36 8.40 0.04 -1.26 -4.62 135.00 138.44 1gk1 s PRO 225 Ca 0.50 -0.11 0.13 0.00 0.04 0.00 0.00 61.00 61.56 1gk1 s PRO 225 Cb -0.25 -2.18 0.94 0.00 0.04 0.00 0.00 34.50 33.05 1gk1 s PRO 225 CO 0.32 -1.08 1.80 1.25 0.04 0.00 0.00 177.00 179.32 1gk1 h LEU 226 N -0.50 0.58 -2.15 -3.56 5.85 -1.94 -1.88 115.31 111.71 1gk1 h LEU 226 Ca -0.45 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1gk1 h LEU 226 Cb 1.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1gk1 h LEU 226 CO 0.61 0.19 0.26 0.44 -0.34 0.00 0.00 178.44 179.60 1gk1 h ASP 227 N 0.56 0.00 1.14 1.25 3.32 -1.98 -1.92 116.42 118.78 1gk1 h ASP 227 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1gk1 h ASP 227 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1gk1 h ASP 227 CO -0.30 0.00 -0.53 0.44 -1.72 0.00 0.00 179.24 177.13 1gk1 h ASP 228 N 0.00 0.00 -3.67 6.45 3.32 -1.71 -3.47 116.42 117.34 1gk1 h ASP 228 Ca 0.12 -0.11 -0.50 0.00 0.02 0.00 0.00 57.03 56.56 1gk1 h ASP 228 Cb 0.64 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1gk1 h ASP 228 CO -0.00 0.05 0.07 -0.76 -1.72 0.00 0.00 179.24 176.89 1gk1 s LEU 229 N -4.78 4.12 0.15 1.55 2.01 -0.73 -4.92 118.68 116.09 1gk1 s LEU 229 Ca 0.06 1.26 -0.32 0.00 0.01 0.00 0.00 54.13 55.13 1gk1 s LEU 229 Cb 0.11 -3.96 -0.12 0.00 0.01 0.00 0.00 46.19 42.23 1gk1 s LEU 229 CO 0.71 -0.15 1.73 -2.65 1.01 0.00 0.00 176.35 177.00 1gk1 n PRO 230 N -0.17 2.58 -3.81 1.29 -0.02 -1.26 -4.87 135.00 128.74 1gk1 n PRO 230 Ca 0.02 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1gk1 n PRO 230 Cb 0.53 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 1gk1 n PRO 230 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gk1 s ARG 231 N 1.77 0.60 -0.03 -0.52 0.52 -1.26 -1.34 118.95 118.68 1gk1 s ARG 231 Ca 0.79 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 55.70 1gk1 s ARG 231 Cb -0.56 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.21 1gk1 s ARG 231 CO 0.37 -0.16 0.05 0.08 0.02 0.00 0.00 175.30 175.66 1gk1 s VAL 232 N -1.42 -0.07 -0.05 3.52 1.01 0.04 -4.98 120.40 118.44 1gk1 s VAL 232 Ca -0.14 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1gk1 s VAL 232 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.21 1gk1 s VAL 232 CO 0.03 0.10 -0.14 -0.89 0.00 0.00 0.00 175.10 174.20 1gk1 s THR 233 N 1.30 1.25 -1.06 3.92 2.01 -1.26 -0.40 115.64 121.40 1gk1 s THR 233 Ca -0.06 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.09 1gk1 s THR 233 Cb -0.13 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.32 1gk1 s THR 233 CO -0.03 0.37 0.49 0.59 -0.69 0.00 0.00 174.62 175.35 1gk1 n ASN 234 N 3.43 -2.85 -4.74 3.53 5.03 -0.61 -4.89 115.26 114.16 1gk1 n ASN 234 Ca -0.20 -1.10 -0.31 0.00 0.87 0.00 0.00 54.58 53.84 1gk1 n ASN 234 Cb 0.53 -1.32 0.11 0.00 -1.02 0.00 0.00 39.78 38.08 1gk1 n ASN 234 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1gk1 s PRO 235 N -7.06 1.88 0.53 3.52 0.04 -1.26 -4.92 135.00 127.72 1gk1 s PRO 235 Ca 0.36 1.30 0.24 0.00 0.04 0.00 0.00 61.00 62.94 1gk1 s PRO 235 Cb -0.20 -1.84 1.46 0.00 0.04 0.00 0.00 34.50 33.95 1gk1 s PRO 235 CO 0.82 -1.95 2.12 -1.00 0.04 0.00 0.00 177.00 177.04 1gk1 h PRO 236 N -1.33 0.00 0.00 0.56 0.13 -1.90 -2.03 132.00 127.43 1gk1 h PRO 236 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1gk1 h PRO 236 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1gk1 h PRO 236 CO 0.48 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 1gk1 n GLY 237 N -1.05 -1.03 2.30 1.56 0.00 -1.26 -4.87 105.19 100.84 1gk1 n GLY 237 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1gk1 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gk1 n GLY 238 N -0.19 0.35 3.35 -0.02 0.00 -0.76 -4.92 105.19 103.00 1gk1 n GLY 238 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1gk1 n GLY 238 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gk1 s PHE 239 N -1.70 0.02 0.01 1.61 -0.12 -1.26 -0.72 117.98 115.82 1gk1 s PHE 239 Ca 0.00 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1gk1 s PHE 239 Cb 0.00 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 1gk1 s PHE 239 CO 0.00 -0.73 -0.04 0.54 -0.05 0.00 0.00 175.22 174.94 1gk1 s VAL 240 N -3.87 0.24 0.15 -2.49 0.11 -0.55 -4.61 120.40 109.38 1gk1 s VAL 240 Ca 0.08 -0.53 -0.20 0.00 -2.93 0.00 0.00 61.98 58.40 1gk1 s VAL 240 Cb 0.02 -0.28 0.06 0.00 -1.53 0.00 0.00 36.38 34.64 1gk1 s VAL 240 CO -0.07 -0.19 0.53 0.00 -3.33 0.00 0.00 175.10 172.04 1gk1 s GLN 241 N -0.76 1.22 -0.29 1.54 1.03 0.99 -2.31 119.66 121.08 1gk1 s GLN 241 Ca -0.06 -0.58 -0.15 0.00 0.04 0.00 0.00 55.36 54.61 1gk1 s GLN 241 Cb -0.05 0.55 0.11 0.00 0.03 0.00 0.00 33.01 33.64 1gk1 s GLN 241 CO -0.00 -0.52 0.76 1.21 -2.54 0.00 0.00 175.29 174.20 1gk1 s ASN 242 N -2.78 -0.89 -0.32 12.60 3.84 -1.04 -4.41 114.94 121.95 1gk1 s ASN 242 Ca 0.02 1.35 0.10 0.00 0.21 0.00 0.00 52.86 54.54 1gk1 s ASN 242 Cb -0.00 1.58 0.46 0.00 -0.55 0.00 0.00 41.25 42.74 1gk1 s ASN 242 CO -0.12 -0.21 1.14 -1.20 -2.79 0.00 0.00 177.10 173.92 1gk1 n SER 243 N 4.50 4.00 0.00 -4.21 7.64 -1.26 -2.10 113.62 122.19 1gk1 n SER 243 Ca -0.17 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1gk1 n SER 243 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1gk1 n SER 243 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1gk1 n ASN 244 N -0.58 -1.60 -4.87 6.43 5.03 -1.25 -4.69 115.26 113.74 1gk1 n ASN 244 Ca 0.33 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.47 1gk1 n ASN 244 Cb 0.85 -0.85 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 1gk1 n ASN 244 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1gk1 s ASP 245 N -2.44 6.18 0.88 6.41 -4.77 -1.26 -4.95 116.67 116.72 1gk1 s ASP 245 Ca 0.00 1.43 -0.12 0.00 -3.30 0.00 0.00 52.55 50.56 1gk1 s ASP 245 Cb 0.00 -2.47 0.07 0.00 -1.09 0.00 0.00 42.92 39.43 1gk1 s ASP 245 CO 0.00 -0.91 0.84 -2.65 0.70 0.00 0.00 175.17 173.15 1gk1 n PRO 246 N -2.77 -0.15 0.00 2.11 -0.02 -1.26 -4.81 135.00 128.11 1gk1 n PRO 246 Ca 0.06 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1gk1 n PRO 246 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1gk1 n PRO 246 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gk1 n PRO 247 N -2.71 0.63 0.08 0.52 -0.04 -1.26 -4.15 135.00 128.07 1gk1 n PRO 247 Ca 0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1gk1 n PRO 247 Cb 0.52 -1.25 0.26 0.00 -0.04 0.00 0.00 33.50 32.99 1gk1 n PRO 247 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1gk1 n TRP 248 N 0.43 0.71 -3.15 0.54 5.03 -1.26 -4.23 117.44 115.50 1gk1 n TRP 248 Ca 0.00 0.21 -0.19 0.00 3.03 0.00 0.00 57.50 60.55 1gk1 n TRP 248 Cb 0.23 -0.77 -0.03 0.00 -1.03 0.00 0.00 31.31 29.71 1gk1 n TRP 248 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 1gk1 n THR 249 N -2.18 0.22 0.53 -0.99 -2.24 -1.26 -4.89 114.28 103.47 1gk1 n THR 249 Ca 0.04 -4.68 0.12 0.00 -2.27 0.00 0.00 64.05 57.26 1gk1 n THR 249 Cb 0.44 -0.38 0.45 0.00 -2.10 0.00 0.00 70.33 68.75 1gk1 n THR 249 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1gk1 n PRO 250 N 0.21 0.18 -3.85 -0.78 -0.04 -1.26 -4.84 135.00 124.61 1gk1 n PRO 250 Ca 0.25 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1gk1 n PRO 250 Cb 0.63 -1.78 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1gk1 n PRO 250 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gk1 s THR 251 N -3.19 0.00 -0.14 0.52 -1.32 -1.26 -0.01 115.64 110.24 1gk1 s THR 251 Ca 0.07 -1.05 -0.05 0.00 -1.21 0.00 0.00 61.69 59.46 1gk1 s THR 251 Cb 0.11 -2.40 0.07 0.00 -1.51 0.00 0.00 72.50 68.77 1gk1 s THR 251 CO 0.46 0.00 0.29 0.86 -2.21 0.00 0.00 174.62 174.02 1gk1 s TRP 252 N -3.24 -0.50 0.62 9.09 -0.11 -1.26 -3.50 118.94 120.05 1gk1 s TRP 252 Ca 0.14 1.08 -0.17 0.00 1.22 0.00 0.00 56.10 58.37 1gk1 s TRP 252 Cb -0.05 0.03 -0.02 0.00 -1.50 0.00 0.00 33.47 31.93 1gk1 s TRP 252 CO 0.09 -0.38 1.15 -1.25 -4.62 0.00 0.00 176.95 171.95 1gk1 s PRO 253 N 2.43 2.90 0.84 5.86 0.04 -1.26 -4.15 135.00 141.66 1gk1 s PRO 253 Ca 0.00 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1gk1 s PRO 253 Cb -0.12 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1gk1 s PRO 253 CO -0.09 -1.21 1.10 0.14 0.04 0.00 0.00 177.00 176.98 1gk1 s VAL 254 N -1.94 2.89 -0.86 -0.36 -7.23 -1.23 -4.71 120.40 106.97 1gk1 s VAL 254 Ca 0.72 0.29 0.07 0.00 -1.81 0.00 0.00 61.98 61.26 1gk1 s VAL 254 Cb -0.25 -2.66 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1gk1 s VAL 254 CO 0.36 -0.38 0.68 0.35 -0.31 0.00 0.00 175.10 175.79 1gk1 n THR 255 N -3.79 0.00 -3.82 5.32 -2.24 -1.26 -5.05 114.28 103.43 1gk1 n THR 255 Ca 0.09 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1gk1 n THR 255 Cb 0.53 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1gk1 n THR 255 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1gk1 s TYR 256 N -0.77 -0.04 0.26 4.78 -0.85 -1.26 -5.18 117.35 114.29 1gk1 s TYR 256 Ca 0.08 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 1gk1 s TYR 256 Cb 0.06 0.73 -0.05 0.00 0.38 0.00 0.00 41.96 43.07 1gk1 s TYR 256 CO 0.12 -1.18 0.03 0.95 -1.52 0.00 0.00 175.55 173.96 1gk1 s THR 257 N -3.01 0.99 0.38 -3.49 -4.23 -1.26 -4.99 115.64 100.03 1gk1 s THR 257 Ca 0.14 -2.02 0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1gk1 s THR 257 Cb -0.04 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.61 1gk1 s THR 257 CO 0.07 -0.17 1.88 -0.65 -0.54 0.00 0.00 174.62 175.21 1gk1 h PRO 258 N 2.36 0.57 0.00 3.99 0.11 -1.95 -1.71 132.00 135.36 1gk1 h PRO 258 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1gk1 h PRO 258 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1gk1 h PRO 258 CO 0.65 0.38 0.00 0.36 -0.21 0.00 0.00 178.00 179.18 1gk1 n LYS 259 N -4.53 0.05 0.00 1.05 2.85 -1.26 -2.57 118.16 113.74 1gk1 n LYS 259 Ca 0.17 0.35 0.15 0.00 -1.05 0.00 0.00 58.31 57.93 1gk1 n LYS 259 Cb 0.51 -1.60 0.78 0.00 -0.65 0.00 0.00 35.03 34.07 1gk1 n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1gk1 n ASP 260 N -1.68 0.24 -4.15 -5.58 8.00 -0.64 -4.87 116.55 107.86 1gk1 n ASP 260 Ca 0.02 -0.69 -0.10 0.00 0.71 0.00 0.00 54.79 54.73 1gk1 n ASP 260 Cb 0.14 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 1gk1 n ASP 260 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1gk1 s PHE 261 N -2.28 0.83 0.29 1.24 0.40 -1.06 -5.06 117.98 112.33 1gk1 s PHE 261 Ca 0.37 -0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 1gk1 s PHE 261 Cb 0.21 -0.49 -0.13 0.00 0.51 0.00 0.00 43.02 43.12 1gk1 s PHE 261 CO 0.42 -0.17 1.22 -2.30 0.70 0.00 0.00 175.22 175.09 1gk1 n PRO 262 N 0.14 1.79 0.00 0.24 -0.02 -1.26 -4.82 135.00 131.08 1gk1 n PRO 262 Ca -0.14 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1gk1 n PRO 262 Cb 0.60 -2.15 0.42 0.00 -0.02 0.00 0.00 33.50 32.34 1gk1 n PRO 262 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1gk1 n SER 263 N 1.31 0.00 -0.93 2.55 3.41 -1.26 -2.35 113.62 116.35 1gk1 n SER 263 Ca 0.08 -0.33 0.10 0.00 -0.26 0.00 0.00 58.87 58.47 1gk1 n SER 263 Cb 0.33 -0.07 0.14 0.00 -0.26 0.00 0.00 64.21 64.35 1gk1 n SER 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gk1 n TYR 264 N -1.07 0.22 -0.04 7.33 0.18 -1.26 -2.12 117.16 120.41 1gk1 n TYR 264 Ca 0.10 -0.13 -0.14 0.00 1.88 0.00 0.00 57.90 59.61 1gk1 n TYR 264 Cb 0.06 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.91 1gk1 n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1gk1 h LEU 265 N 4.02 0.06 -7.91 -3.48 3.38 -1.83 -3.40 115.31 106.15 1gk1 h LEU 265 Ca 0.00 -0.79 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 1gk1 h LEU 265 Cb 0.89 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 1gk1 h LEU 265 CO 0.00 0.84 -0.50 0.00 0.09 0.00 0.00 178.44 178.88 1gk1 s ALA 266 N -3.05 -0.05 0.78 1.53 0.00 -1.26 -4.71 121.76 114.99 1gk1 s ALA 266 Ca -0.17 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1gk1 s ALA 266 Cb -0.01 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.48 1gk1 s ALA 266 CO 0.70 -0.37 1.10 -1.25 0.00 0.00 0.00 175.76 175.94 1gk1 s PRO 267 N -3.07 2.23 -0.40 0.00 0.04 -1.26 -4.84 135.00 127.70 1gk1 s PRO 267 Ca -0.01 0.55 0.07 0.00 0.04 0.00 0.00 61.00 61.66 1gk1 s PRO 267 Cb 0.02 -1.94 0.43 0.00 0.04 0.00 0.00 34.50 33.05 1gk1 s PRO 267 CO -0.07 -1.50 1.10 1.04 0.04 0.00 0.00 177.00 177.61 1gk1 n GLN 268 N -3.34 3.10 -2.74 4.56 6.02 -1.26 -4.81 117.38 118.92 1gk1 n GLN 268 Ca 0.07 -4.27 -0.27 0.00 -0.01 0.00 0.00 57.00 52.52 1gk1 n GLN 268 Cb 0.57 -2.10 -0.00 0.00 1.02 0.00 0.00 30.24 29.72 1gk1 n GLN 268 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1gk1 s THR 269 N -5.06 4.91 0.30 5.09 -4.23 -1.26 -5.03 115.64 110.36 1gk1 s THR 269 Ca 0.45 0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 60.76 1gk1 s THR 269 Cb 0.41 -3.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.28 1gk1 s THR 269 CO -0.13 -0.80 1.54 -2.16 -0.54 0.00 0.00 174.62 172.53 1gk1 s PRO 270 N -4.69 4.16 0.30 3.99 0.04 -1.26 -4.85 135.00 132.69 1gk1 s PRO 270 Ca 0.46 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.72 1gk1 s PRO 270 Cb -0.10 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 1gk1 s PRO 270 CO 0.44 -0.56 1.28 -1.01 0.04 0.00 0.00 177.00 177.19 1gk1 s HIS 271 N -0.22 3.16 0.88 0.56 3.76 -1.26 -4.99 115.29 117.17 1gk1 s HIS 271 Ca 0.60 1.42 -0.11 0.00 -0.15 0.00 0.00 55.06 56.82 1gk1 s HIS 271 Cb -0.46 -3.61 0.12 0.00 1.11 0.00 0.00 32.58 29.74 1gk1 s HIS 271 CO 0.50 -1.68 1.10 -1.54 -0.85 0.00 0.00 174.74 172.27 1gk1 s SER 272 N -0.41 3.51 0.46 1.40 1.04 -1.26 -4.80 113.70 113.64 1gk1 s SER 272 Ca 0.50 1.81 0.15 0.00 0.48 0.00 0.00 55.95 58.89 1gk1 s SER 272 Cb -0.38 -2.42 1.05 0.00 0.10 0.00 0.00 66.02 64.37 1gk1 s SER 272 CO 0.49 -2.67 2.01 -0.07 0.98 0.00 0.00 173.24 173.98 1gk1 h LEU 273 N -1.57 0.00 -0.37 2.42 3.38 -1.79 -1.48 115.31 115.91 1gk1 h LEU 273 Ca -0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1gk1 h LEU 273 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1gk1 h LEU 273 CO 0.49 0.16 -0.08 -0.09 0.09 0.00 0.00 178.44 179.02 1gk1 h ARG 274 N 0.00 0.70 -0.54 1.13 2.43 -1.74 -1.32 114.38 115.04 1gk1 h ARG 274 Ca -0.00 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1gk1 h ARG 274 Cb 0.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1gk1 h ARG 274 CO 0.02 0.85 0.10 0.00 -1.51 0.00 0.00 179.97 179.42 1gk1 h ALA 275 N 0.83 1.16 -0.61 2.80 0.00 -1.70 -0.89 119.26 120.85 1gk1 h ALA 275 Ca 0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1gk1 h ALA 275 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gk1 h ALA 275 CO 0.03 0.56 0.07 1.96 0.00 0.00 0.00 179.25 181.88 1gk1 h GLN 276 N 0.80 1.01 -0.60 0.00 4.20 -1.09 -2.44 115.11 116.99 1gk1 h GLN 276 Ca 0.17 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1gk1 h GLN 276 Cb 0.35 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1gk1 h GLN 276 CO 0.00 0.95 0.13 1.96 -0.67 0.00 0.00 178.83 181.20 1gk1 h GLN 277 N 0.95 0.98 -0.35 1.46 1.08 -0.72 -2.25 115.11 116.26 1gk1 h GLN 277 Ca 0.19 -0.25 0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1gk1 h GLN 277 Cb 0.45 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1gk1 h GLN 277 CO 0.02 0.91 0.04 1.03 -0.95 0.00 0.00 178.83 179.87 1gk1 h SER 278 N 0.89 -0.06 -0.62 1.46 0.87 -0.84 0.18 113.55 115.44 1gk1 h SER 278 Ca 0.19 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1gk1 h SER 278 Cb 0.38 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1gk1 h SER 278 CO 0.01 0.01 0.22 0.58 -0.53 0.00 0.00 176.83 177.11 1gk1 h VAL 279 N 0.14 1.24 -0.32 2.23 2.07 -1.27 -2.85 116.25 117.49 1gk1 h VAL 279 Ca 0.17 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1gk1 h VAL 279 Cb 0.21 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1gk1 h VAL 279 CO -0.25 0.30 0.08 0.03 0.02 0.00 0.00 177.57 177.75 1gk1 h ARG 280 N 0.87 0.52 -0.78 1.57 2.47 -0.83 -0.32 114.38 117.86 1gk1 h ARG 280 Ca 0.20 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1gk1 h ARG 280 Cb 0.24 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 1gk1 h ARG 280 CO -0.01 0.58 0.52 -0.07 0.56 0.00 0.00 179.97 181.55 1gk1 h LEU 281 N 0.36 0.88 0.00 3.04 3.38 -0.61 -0.51 115.31 121.85 1gk1 h LEU 281 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1gk1 h LEU 281 Cb 0.30 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gk1 h LEU 281 CO 0.00 0.63 -0.11 0.24 0.09 0.00 0.00 178.44 179.29 1gk1 h MET 282 N 1.04 0.00 -0.28 1.13 2.86 -1.40 -3.30 114.93 114.98 1gk1 h MET 282 Ca 0.29 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1gk1 h MET 282 Cb -0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1gk1 h MET 282 CO -0.07 0.79 -0.03 0.66 1.06 0.00 0.00 176.91 179.32 1gk1 h SER 283 N -1.00 0.41 1.41 1.22 4.64 -1.04 -2.97 113.55 116.22 1gk1 h SER 283 Ca -0.03 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1gk1 h SER 283 Cb 0.82 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1gk1 h SER 283 CO -0.02 0.50 0.00 -0.62 -0.87 0.00 0.00 176.83 175.83 1gk1 n GLU 284 N -4.28 0.24 -4.21 4.77 1.02 -0.20 -4.85 120.64 113.12 1gk1 n GLU 284 Ca 0.01 0.20 -0.30 0.00 -0.02 0.00 0.00 57.16 57.05 1gk1 n GLU 284 Cb 0.25 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 1gk1 n GLU 284 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gk1 s ASN 285 N -4.38 4.72 0.33 1.62 -0.87 -1.12 -5.08 114.94 110.15 1gk1 s ASN 285 Ca 0.11 -0.26 0.03 0.00 -1.57 0.00 0.00 52.86 51.17 1gk1 s ASN 285 Cb 0.13 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.25 40.29 1gk1 s ASN 285 CO 0.58 0.19 0.15 -0.62 -2.57 0.00 0.00 177.10 174.83 1gk1 s ASP 286 N -2.16 1.85 -1.55 -1.22 -1.08 -1.26 -4.87 116.67 106.38 1gk1 s ASP 286 Ca 0.23 -1.57 -0.06 0.00 -0.52 0.00 0.00 52.55 50.63 1gk1 s ASP 286 Cb -0.11 0.37 0.06 0.00 -1.46 0.00 0.00 42.92 41.78 1gk1 s ASP 286 CO 0.15 -0.88 0.43 0.47 0.52 0.00 0.00 175.17 175.86 1gk1 n ASP 287 N -1.00 -0.88 -4.77 -0.34 9.92 -1.00 -4.87 116.55 113.61 1gk1 n ASP 287 Ca -0.00 -1.09 -0.39 0.00 -0.53 0.00 0.00 54.79 52.78 1gk1 n ASP 287 Cb 0.65 -2.55 -0.02 0.00 -0.64 0.00 0.00 41.12 38.56 1gk1 n ASP 287 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1gk1 s LEU 288 N -7.16 4.22 0.33 0.64 1.43 -0.80 -4.04 118.68 113.31 1gk1 s LEU 288 Ca 0.25 2.42 0.09 0.00 -1.03 0.00 0.00 54.13 55.86 1gk1 s LEU 288 Cb -0.14 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.06 1gk1 s LEU 288 CO 0.93 -0.68 -0.09 0.42 0.23 0.00 0.00 176.35 177.16 1gk1 s THR 289 N -1.36 2.10 0.24 5.49 -4.23 -1.26 -0.57 115.64 116.05 1gk1 s THR 289 Ca 0.56 -2.19 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1gk1 s THR 289 Cb -0.33 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1gk1 s THR 289 CO 0.41 -0.23 1.90 0.25 -0.54 0.00 0.00 174.62 176.42 1gk1 h LEU 290 N 2.08 1.09 -0.23 4.79 5.85 -1.98 0.10 115.31 127.01 1gk1 h LEU 290 Ca -0.41 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1gk1 h LEU 290 Cb 1.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1gk1 h LEU 290 CO 0.70 0.81 0.15 -0.33 -0.34 0.00 0.00 178.44 179.43 1gk1 h GLU 291 N 1.27 0.31 -0.64 1.25 3.07 -1.99 -0.27 114.58 117.59 1gk1 h GLU 291 Ca 0.34 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1gk1 h GLU 291 Cb -0.11 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 1gk1 h GLU 291 CO -0.07 0.21 0.06 -0.09 -1.40 0.00 0.00 179.01 177.72 1gk1 h ARG 292 N 0.32 1.08 -0.30 2.33 9.65 -1.87 -2.11 114.38 123.48 1gk1 h ARG 292 Ca 0.09 -0.31 0.02 0.00 -1.10 0.00 0.00 59.98 58.68 1gk1 h ARG 292 Cb -0.03 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 1gk1 h ARG 292 CO -0.02 1.02 0.15 0.35 2.80 0.00 0.00 179.97 184.27 1gk1 h PHE 293 N 1.00 0.28 -0.75 2.20 3.57 -0.44 -1.90 116.94 120.91 1gk1 h PHE 293 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1gk1 h PHE 293 Cb 0.49 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1gk1 h PHE 293 CO 0.03 0.16 0.24 0.52 -2.23 0.00 0.00 178.31 177.03 1gk1 h MET 294 N 0.32 1.16 -0.52 1.11 2.86 -0.88 -2.45 114.93 116.52 1gk1 h MET 294 Ca 0.12 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1gk1 h MET 294 Cb 0.04 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1gk1 h MET 294 CO -0.08 0.98 0.25 0.00 1.06 0.00 0.00 176.91 179.12 1gk1 h ALA 295 N 1.12 1.46 -0.10 6.32 0.00 -1.01 -2.32 119.26 124.74 1gk1 h ALA 295 Ca 0.24 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1gk1 h ALA 295 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gk1 h ALA 295 CO -0.01 0.43 -0.45 -0.07 0.00 0.00 0.00 179.25 179.15 1gk1 h LEU 296 N 0.73 0.25 -1.74 0.00 3.38 -0.90 -2.88 115.31 114.15 1gk1 h LEU 296 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1gk1 h LEU 296 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gk1 h LEU 296 CO -0.02 0.67 -0.12 -0.61 0.09 0.00 0.00 178.44 178.45 1gk1 h GLN 297 N 0.19 0.01 0.00 1.13 -0.00 -1.05 -2.16 115.11 113.23 1gk1 h GLN 297 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1gk1 h GLN 297 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.36 1gk1 h GLN 297 CO 0.07 0.13 0.00 1.28 0.00 0.00 0.00 178.83 180.31 1gk1 n LEU 298 N -4.39 0.00 -4.69 -2.39 4.77 -1.09 -3.83 117.00 105.39 1gk1 n LEU 298 Ca -0.03 0.29 -0.44 0.00 -0.03 0.00 0.00 56.01 55.81 1gk1 n LEU 298 Cb 0.20 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1gk1 n LEU 298 CO 0.36 -0.03 1.07 -1.54 -1.33 0.00 0.00 177.39 175.92 1gk1 n SER 299 N -1.29 3.00 -2.77 -1.43 3.41 -0.81 -4.68 113.62 109.05 1gk1 n SER 299 Ca 0.12 1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 59.75 1gk1 n SER 299 Cb 0.22 -1.46 0.01 0.00 -0.26 0.00 0.00 64.21 62.72 1gk1 n SER 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gk1 n HIS 300 N 2.08 1.10 -2.60 7.33 1.44 -1.26 -1.95 115.22 121.37 1gk1 n HIS 300 Ca 0.11 -3.04 -0.40 0.00 -2.01 0.00 0.00 57.72 52.39 1gk1 n HIS 300 Cb 0.32 -0.37 -0.05 0.00 0.12 0.00 0.00 29.99 30.01 1gk1 n HIS 300 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1gk1 s ARG 301 N -3.00 4.66 -1.27 -1.40 6.06 -1.26 -1.40 118.95 121.33 1gk1 s ARG 301 Ca 0.31 1.63 -0.09 0.00 -2.50 0.00 0.00 55.73 55.08 1gk1 s ARG 301 Cb 0.43 -3.12 0.17 0.00 0.06 0.00 0.00 34.95 32.50 1gk1 s ARG 301 CO 0.00 0.28 1.84 0.00 -2.50 0.00 0.00 175.30 174.92 1gk1 n ALA 302 N 1.10 5.30 -0.25 6.12 0.00 0.75 -2.71 120.51 130.82 1gk1 n ALA 302 Ca -0.01 -4.34 0.19 0.00 0.00 0.00 0.00 53.44 49.29 1gk1 n ALA 302 Cb 0.46 -2.95 0.50 0.00 0.00 0.00 0.00 19.45 17.46 1gk1 n ALA 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gk1 h VAL 303 N 3.76 0.68 0.00 0.00 2.07 -1.59 0.30 116.25 121.47 1gk1 h VAL 303 Ca 0.38 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 1gk1 h VAL 303 Cb 0.64 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1gk1 h VAL 303 CO 1.60 0.08 -0.17 -0.03 0.02 0.00 0.00 177.57 179.06 1gk1 h MET 304 N 0.43 0.00 -0.62 1.57 1.85 -1.65 -1.51 114.93 115.00 1gk1 h MET 304 Ca 0.48 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.48 1gk1 h MET 304 Cb 1.16 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 1gk1 h MET 304 CO -0.19 0.17 0.06 0.00 -0.40 0.00 0.00 176.91 176.55 1gk1 h ALA 305 N 1.83 0.92 0.00 0.39 0.00 -0.68 -1.49 119.26 120.23 1gk1 h ALA 305 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1gk1 h ALA 305 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gk1 h ALA 305 CO 0.02 0.66 -0.24 -0.44 0.00 0.00 0.00 179.25 179.25 1gk1 h ASP 306 N 0.98 0.00 0.58 0.00 3.32 -1.18 0.16 116.42 120.27 1gk1 h ASP 306 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1gk1 h ASP 306 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1gk1 h ASP 306 CO 0.02 0.24 -0.55 0.54 -1.72 0.00 0.00 179.24 177.77 1gk1 n ARG 307 N -4.15 0.08 0.00 3.56 5.12 -0.95 -4.62 116.66 115.70 1gk1 n ARG 307 Ca -0.02 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gk1 n ARG 307 Cb 0.30 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1gk1 n ARG 307 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1gk1 n THR 308 N -1.66 0.00 -0.31 0.55 -2.24 -0.60 -0.72 114.28 109.31 1gk1 n THR 308 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1gk1 n THR 308 Cb 0.36 -0.55 0.34 0.00 -2.10 0.00 0.00 70.33 68.38 1gk1 n THR 308 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gk1 h LEU 309 N 0.00 0.73 -1.18 3.22 3.38 -1.19 -1.45 115.31 118.81 1gk1 h LEU 309 Ca 0.00 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1gk1 h LEU 309 Cb 0.86 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1gk1 h LEU 309 CO 0.00 0.34 0.61 -0.65 0.09 0.00 0.00 178.44 178.84 1gk1 h PRO 310 N 0.76 0.65 0.06 1.13 0.11 -1.82 -1.56 132.00 131.33 1gk1 h PRO 310 Ca 0.49 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 66.25 1gk1 h PRO 310 Cb 0.75 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1gk1 h PRO 310 CO -0.26 0.43 -1.77 -0.44 -0.21 0.00 0.00 178.00 175.75 1gk1 h ASP 311 N 0.67 0.20 -0.12 -2.05 3.32 -1.73 -3.40 116.42 113.30 1gk1 h ASP 311 Ca 0.53 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1gk1 h ASP 311 Cb 0.95 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1gk1 h ASP 311 CO -0.30 1.37 -0.19 0.25 -1.72 0.00 0.00 179.24 178.65 1gk1 h LEU 312 N 0.04 0.38 -0.06 1.55 5.85 -0.86 -3.29 115.31 118.91 1gk1 h LEU 312 Ca -0.32 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 57.89 1gk1 h LEU 312 Cb 2.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 1gk1 h LEU 312 CO 0.09 0.84 -0.10 0.40 -0.34 0.00 0.00 178.44 179.33 1gk1 h ILE 313 N -0.06 0.73 -0.84 4.05 2.04 -1.52 -1.06 117.51 120.84 1gk1 h ILE 313 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1gk1 h ILE 313 Cb 0.76 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1gk1 h ILE 313 CO 0.04 0.00 0.53 -0.65 0.00 0.00 0.00 178.15 178.07 1gk1 h PRO 314 N -0.14 0.96 -0.43 2.37 0.11 -1.77 -1.93 132.00 131.16 1gk1 h PRO 314 Ca 0.06 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1gk1 h PRO 314 Cb 0.23 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1gk1 h PRO 314 CO -0.15 0.63 -0.13 0.00 -0.21 0.00 0.00 178.00 178.15 1gk1 h ALA 315 N 1.37 0.96 0.00 -0.75 0.00 -1.56 -2.88 119.26 116.40 1gk1 h ALA 315 Ca 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1gk1 h ALA 315 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gk1 h ALA 315 CO -0.15 0.61 -0.40 0.00 0.00 0.00 0.00 179.25 179.31 1gk1 h ALA 316 N 1.14 1.07 0.00 0.00 0.00 -0.72 -3.05 119.26 117.70 1gk1 h ALA 316 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1gk1 h ALA 316 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1gk1 h ALA 316 CO 0.04 0.50 0.00 -0.07 0.00 0.00 0.00 179.25 179.73 1gk1 h LEU 317 N 0.00 0.00 -0.22 0.00 4.07 -1.13 -2.72 115.31 115.31 1gk1 h LEU 317 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1gk1 h LEU 317 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1gk1 h LEU 317 CO 0.05 0.00 -0.50 2.30 -1.08 0.00 0.00 178.44 179.21 1gk1 n ILE 318 N -2.36 0.00 -2.25 1.22 -5.35 -1.15 -4.88 119.36 104.58 1gk1 n ILE 318 Ca 0.02 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 62.03 1gk1 n ILE 318 Cb 0.24 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 1gk1 n ILE 318 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1gk1 s ASP 319 N -2.82 6.94 0.47 7.28 -1.08 -1.03 -4.92 116.67 121.52 1gk1 s ASP 319 Ca 0.15 2.35 0.15 0.00 -0.52 0.00 0.00 52.55 54.68 1gk1 s ASP 319 Cb 0.18 -2.61 1.10 0.00 -1.46 0.00 0.00 42.92 40.13 1gk1 s ASP 319 CO 0.66 -0.50 2.05 1.55 0.52 0.00 0.00 175.17 179.46 1gk1 h PRO 320 N 5.40 0.02 -6.20 4.34 0.13 -1.89 -3.44 132.00 130.37 1gk1 h PRO 320 Ca -0.45 -0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1gk1 h PRO 320 Cb 1.21 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1gk1 h PRO 320 CO 0.77 0.12 1.34 0.34 -0.23 0.00 0.00 178.00 180.34 1gk1 s ASP 321 N -7.02 6.02 0.60 1.44 -1.08 -1.26 -4.86 116.67 110.51 1gk1 s ASP 321 Ca -0.05 2.30 0.34 0.00 -0.52 0.00 0.00 52.55 54.63 1gk1 s ASP 321 Cb 0.16 -2.52 1.90 0.00 -1.46 0.00 0.00 42.92 41.00 1gk1 s ASP 321 CO 0.69 -1.45 2.23 1.55 0.52 0.00 0.00 175.17 178.71 1gk1 h PRO 322 N 12.50 0.00 -0.08 4.34 0.13 -1.99 -2.21 132.00 144.69 1gk1 h PRO 322 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 1gk1 h PRO 322 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gk1 h PRO 322 CO 0.95 0.03 -0.87 0.93 -0.23 0.00 0.00 178.00 178.82 1gk1 h GLU 323 N 0.00 0.65 -0.49 0.86 4.39 -1.96 0.23 114.58 118.26 1gk1 h GLU 323 Ca -0.00 -0.59 -0.10 0.00 0.34 0.00 0.00 59.36 59.00 1gk1 h GLU 323 Cb 0.13 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1gk1 h GLU 323 CO 0.00 1.21 -0.10 0.28 -1.16 0.00 0.00 179.01 179.24 1gk1 h VAL 324 N 0.41 1.26 -0.65 3.13 2.07 -1.78 0.18 116.25 120.87 1gk1 h VAL 324 Ca -0.07 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1gk1 h VAL 324 Cb 1.49 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1gk1 h VAL 324 CO 0.17 0.42 0.18 1.56 0.02 0.00 0.00 177.57 179.91 1gk1 h GLN 325 N 0.81 1.03 -0.46 1.57 4.20 -1.34 -0.55 115.11 120.36 1gk1 h GLN 325 Ca 0.13 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1gk1 h GLN 325 Cb 0.62 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1gk1 h GLN 325 CO 0.04 0.91 0.04 0.00 -0.67 0.00 0.00 178.83 179.16 1gk1 h ALA 326 N 1.07 0.62 -0.89 3.87 0.00 -0.50 -1.89 119.26 121.53 1gk1 h ALA 326 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gk1 h ALA 326 Cb 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1gk1 h ALA 326 CO -0.00 0.38 0.47 0.00 0.00 0.00 0.00 179.25 180.10 1gk1 h ALA 327 N 0.94 1.14 -0.65 0.00 0.00 -0.32 -1.13 119.26 119.24 1gk1 h ALA 327 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1gk1 h ALA 327 Cb 0.44 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1gk1 h ALA 327 CO 0.02 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.05 1gk1 h ALA 328 N 1.26 0.98 -0.01 0.00 0.00 -0.87 -1.22 119.26 119.39 1gk1 h ALA 328 Ca 0.31 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1gk1 h ALA 328 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1gk1 h ALA 328 CO -0.05 0.65 -0.51 0.00 0.00 0.00 0.00 179.25 179.34 1gk1 h ARG 329 N 0.99 0.04 -0.37 0.00 3.08 -0.90 -0.24 114.38 116.98 1gk1 h ARG 329 Ca 0.20 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1gk1 h ARG 329 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1gk1 h ARG 329 CO 0.01 0.54 -0.17 1.25 -1.07 0.00 0.00 179.97 180.54 1gk1 h LEU 330 N 0.03 0.78 -0.77 3.04 5.85 -0.74 -2.11 115.31 121.38 1gk1 h LEU 330 Ca -0.00 -0.40 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 1gk1 h LEU 330 Cb 0.92 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1gk1 h LEU 330 CO 0.07 1.01 -0.61 -0.07 -0.34 0.00 0.00 178.44 178.50 1gk1 h LEU 331 N 0.55 0.01 -0.72 2.25 3.38 -1.06 -3.03 115.31 116.69 1gk1 h LEU 331 Ca 0.08 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1gk1 h LEU 331 Cb 0.71 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1gk1 h LEU 331 CO 0.05 0.62 -0.64 0.00 0.09 0.00 0.00 178.44 178.56 1gk1 h ALA 332 N 1.38 0.94 -0.00 1.53 0.00 -0.84 -3.03 119.26 119.24 1gk1 h ALA 332 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gk1 h ALA 332 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1gk1 h ALA 332 CO 0.08 0.79 -0.30 0.00 0.00 0.00 0.00 179.25 179.83 1gk1 n ALA 333 N -2.42 3.08 -1.79 0.00 0.00 -0.81 -4.89 120.51 113.68 1gk1 n ALA 333 Ca -0.01 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1gk1 n ALA 333 Cb 0.63 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1gk1 n ALA 333 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1gk1 s TRP 334 N -2.93 3.51 -2.05 0.00 -0.00 -1.15 -4.92 118.94 111.39 1gk1 s TRP 334 Ca 0.14 1.65 0.16 0.00 -0.00 0.00 0.00 56.10 58.05 1gk1 s TRP 334 Cb 0.18 -3.34 0.88 0.00 -0.00 0.00 0.00 33.47 31.19 1gk1 s TRP 334 CO 0.62 -0.74 1.58 -0.40 -0.00 0.00 0.00 176.95 178.01 1gk1 n ASP 335 N 1.25 0.39 -1.71 5.86 5.68 -1.26 -4.90 116.55 121.87 1gk1 n ASP 335 Ca -0.01 -1.57 -0.16 0.00 -0.50 0.00 0.00 54.79 52.56 1gk1 n ASP 335 Cb 0.44 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 1gk1 n ASP 335 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gk1 n ARG 336 N -0.49 -1.24 -4.79 0.11 1.74 -1.26 -4.96 116.66 105.77 1gk1 n ARG 336 Ca 0.13 0.81 -0.31 0.00 -0.77 0.00 0.00 57.85 57.71 1gk1 n ARG 336 Cb 0.12 -5.16 -0.13 0.00 -1.02 0.00 0.00 32.46 26.27 1gk1 n ARG 336 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gk1 s GLU 337 N -4.56 2.20 -1.37 5.56 0.41 -1.26 -0.18 118.70 119.50 1gk1 s GLU 337 Ca 0.00 -0.89 -0.08 0.00 -0.41 0.00 0.00 54.97 53.58 1gk1 s GLU 337 Cb 0.00 -2.23 0.09 0.00 -1.78 0.00 0.00 34.13 30.21 1gk1 s GLU 337 CO 0.00 0.57 2.29 1.19 -0.49 0.00 0.00 175.26 178.82 1gk1 n PHE 338 N 1.85 2.78 -2.61 1.61 3.72 -0.49 -4.85 117.46 119.47 1gk1 n PHE 338 Ca -0.16 -2.87 -0.25 0.00 -0.05 0.00 0.00 57.45 54.11 1gk1 n PHE 338 Cb 0.52 -2.06 0.02 0.00 -0.94 0.00 0.00 39.48 37.02 1gk1 n PHE 338 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1gk1 s THR 339 N 0.39 3.75 0.37 4.37 -4.23 -1.26 -0.78 115.64 118.25 1gk1 s THR 339 Ca 0.51 -0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1gk1 s THR 339 Cb 0.15 -3.45 0.24 0.00 1.34 0.00 0.00 72.50 70.77 1gk1 s THR 339 CO -0.05 -0.41 1.99 0.28 -0.54 0.00 0.00 174.62 175.89 1gk1 h SER 340 N 0.03 0.58 -0.06 3.99 0.02 -1.93 -2.76 113.55 113.41 1gk1 h SER 340 Ca -0.46 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1gk1 h SER 340 Cb 1.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1gk1 h SER 340 CO 0.59 0.47 0.00 -0.90 -1.14 0.00 0.00 176.83 175.85 1gk1 n ASP 341 N -4.41 1.49 -4.73 3.07 5.75 -1.26 0.59 116.55 117.05 1gk1 n ASP 341 Ca 0.04 -1.55 -0.42 0.00 -0.01 0.00 0.00 54.79 52.85 1gk1 n ASP 341 Cb 0.10 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1gk1 n ASP 341 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1gk1 s SER 342 N -1.86 6.38 0.00 -1.12 0.15 -1.04 -4.66 113.70 111.54 1gk1 s SER 342 Ca 0.36 2.89 0.18 0.00 0.70 0.00 0.00 55.95 60.08 1gk1 s SER 342 Cb 0.20 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 1gk1 s SER 342 CO 0.31 -0.96 0.88 0.54 1.20 0.00 0.00 173.24 175.21 1gk1 n ARG 343 N 3.57 1.49 -0.00 5.44 1.74 -1.26 -0.14 116.66 127.49 1gk1 n ARG 343 Ca 0.14 -0.65 0.06 0.00 -0.77 0.00 0.00 57.85 56.64 1gk1 n ARG 343 Cb 0.36 -1.33 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 1gk1 n ARG 343 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk1 n ALA 344 N -0.43 2.61 -0.06 7.54 0.00 -1.26 -4.08 120.51 124.84 1gk1 n ALA 344 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1gk1 n ALA 344 Cb 0.35 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1gk1 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 h ALA 345 N 1.19 -0.23 -0.33 0.00 0.00 -1.91 -1.05 119.26 116.93 1gk1 h ALA 345 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1gk1 h ALA 345 Cb 0.51 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1gk1 h ALA 345 CO 0.00 -0.73 0.09 -0.07 0.00 0.00 0.00 179.25 178.54 1gk1 h LEU 346 N -0.30 0.06 -1.21 0.00 3.38 -1.87 -1.16 115.31 114.20 1gk1 h LEU 346 Ca 0.14 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1gk1 h LEU 346 Cb 0.52 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1gk1 h LEU 346 CO -0.43 0.07 0.54 0.25 0.09 0.00 0.00 178.44 178.96 1gk1 h LEU 347 N 0.21 0.89 -0.63 1.67 5.85 -1.73 -2.01 115.31 119.57 1gk1 h LEU 347 Ca 0.15 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1gk1 h LEU 347 Cb 0.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1gk1 h LEU 347 CO -0.18 0.63 0.03 0.15 -0.34 0.00 0.00 178.44 178.72 1gk1 h PHE 348 N 1.05 1.18 -0.35 1.25 3.57 -0.19 -2.16 116.94 121.29 1gk1 h PHE 348 Ca 0.31 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1gk1 h PHE 348 Cb -0.03 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1gk1 h PHE 348 CO -0.00 1.03 0.21 0.93 -2.23 0.00 0.00 178.31 178.24 1gk1 h GLU 349 N 1.00 0.41 -0.64 1.11 5.08 -0.61 0.24 114.58 121.16 1gk1 h GLU 349 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1gk1 h GLU 349 Cb 0.54 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1gk1 h GLU 349 CO 0.03 0.27 0.41 0.93 -1.00 0.00 0.00 179.01 179.65 1gk1 h GLU 350 N 0.42 0.85 -0.22 2.33 4.39 -1.19 0.18 114.58 121.33 1gk1 h GLU 350 Ca 0.14 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1gk1 h GLU 350 Cb -0.00 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1gk1 h GLU 350 CO -0.06 0.58 -0.36 2.35 -1.16 0.00 0.00 179.01 180.36 1gk1 h TRP 351 N 0.88 0.79 -0.61 4.33 7.01 -0.93 -3.12 115.95 124.29 1gk1 h TRP 351 Ca 0.23 -0.27 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1gk1 h TRP 351 Cb -0.08 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 1gk1 h TRP 351 CO 0.00 1.02 0.40 0.00 -2.79 0.00 0.00 178.44 177.07 1gk1 h ALA 352 N 0.63 1.55 -0.22 2.65 0.00 0.03 -0.72 119.26 123.18 1gk1 h ALA 352 Ca 0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gk1 h ALA 352 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1gk1 h ALA 352 CO 0.08 0.41 0.15 0.00 0.00 0.00 0.00 179.25 179.90 1gk1 h ARG 353 N 0.83 0.17 0.11 0.00 3.08 -0.63 0.28 114.38 118.23 1gk1 h ARG 353 Ca 0.22 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.97 1gk1 h ARG 353 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1gk1 h ARG 353 CO -0.05 0.12 -1.53 -0.07 -1.07 0.00 0.00 179.97 177.37 1gk1 h LEU 354 N 0.18 0.36 -0.50 3.04 3.38 -1.38 -2.07 115.31 118.33 1gk1 h LEU 354 Ca 0.09 -0.84 -0.05 0.00 0.09 0.00 0.00 57.88 57.17 1gk1 h LEU 354 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1gk1 h LEU 354 CO -0.02 1.66 0.10 0.15 0.09 0.00 0.00 178.44 180.43 1gk1 h PHE 355 N -0.28 0.86 0.00 1.13 3.57 -0.85 -3.33 116.94 118.04 1gk1 h PHE 355 Ca -0.33 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1gk1 h PHE 355 Cb 1.79 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1gk1 h PHE 355 CO 0.11 0.78 -0.01 0.00 -2.23 0.00 0.00 178.31 176.96 1gk1 n ALA 356 N -2.39 2.06 0.00 2.41 0.00 0.95 -4.38 120.51 119.15 1gk1 n ALA 356 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1gk1 n ALA 356 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1gk1 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gk1 n GLY 357 N -0.80 -0.24 0.32 0.00 0.00 -0.78 0.43 105.19 104.11 1gk1 n GLY 357 Ca 0.06 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1gk1 n GLY 357 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gk1 h GLN 358 N 0.00 0.00 -0.26 1.61 1.08 -1.87 -0.74 115.11 114.93 1gk1 h GLN 358 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1gk1 h GLN 358 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1gk1 h GLN 358 CO 0.00 0.00 0.00 0.27 -0.95 0.00 0.00 178.83 178.15 1gk1 n ASN 359 N -4.38 3.22 -1.31 1.46 6.94 -1.26 -4.95 115.26 114.98 1gk1 n ASN 359 Ca 0.02 -1.98 -0.17 0.00 -0.02 0.00 0.00 54.58 52.43 1gk1 n ASN 359 Cb 0.31 -0.16 -0.07 0.00 -2.36 0.00 0.00 39.78 37.50 1gk1 n ASN 359 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1gk1 n PHE 360 N 1.39 0.00 1.10 -2.53 3.72 -0.28 -4.82 117.46 116.03 1gk1 n PHE 360 Ca 0.18 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.70 1gk1 n PHE 360 Cb 0.59 -3.04 0.15 0.00 -0.94 0.00 0.00 39.48 36.24 1gk1 n PHE 360 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gk1 n ALA 361 N 1.32 3.06 -1.75 4.37 0.00 -1.06 -4.82 120.51 121.63 1gk1 n ALA 361 Ca -0.17 -0.60 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 1gk1 n ALA 361 Cb 0.60 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.19 1gk1 n ALA 361 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gk1 s GLY 362 N -2.29 2.89 -0.00 0.00 0.00 0.17 -4.95 107.32 103.12 1gk1 s GLY 362 Ca 0.24 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.32 1gk1 s GLY 362 CO 0.46 1.86 0.07 -1.06 0.00 0.00 0.00 173.10 174.43 1gk1 n GLN 363 N -0.97 1.13 0.09 2.90 1.13 -1.26 -4.77 117.38 115.63 1gk1 n GLN 363 Ca 0.10 -0.02 0.18 0.00 -1.94 0.00 0.00 57.00 55.32 1gk1 n GLN 363 Cb 0.45 -0.98 0.72 0.00 0.11 0.00 0.00 30.24 30.53 1gk1 n GLN 363 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gk1 h ALA 364 N 0.26 2.25 0.00 -1.58 0.00 -1.92 -2.77 119.26 115.49 1gk1 h ALA 364 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gk1 h ALA 364 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gk1 h ALA 364 CO 0.00 -0.49 0.00 0.78 0.00 0.00 0.00 179.25 179.54 1gk1 h GLY 365 N 0.00 0.00 -2.66 0.00 0.00 -1.86 -3.47 103.07 95.08 1gk1 h GLY 365 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.02 1gk1 h GLY 365 CO -0.00 0.00 0.42 -1.36 0.00 0.00 0.00 176.54 175.60 1gk1 s PHE 366 N -3.17 3.15 -0.02 5.60 0.08 -1.05 -0.66 117.98 121.93 1gk1 s PHE 366 Ca 0.09 1.61 -0.21 0.00 0.12 0.00 0.00 56.93 58.55 1gk1 s PHE 366 Cb 0.10 -3.17 -0.27 0.00 -0.57 0.00 0.00 43.02 39.11 1gk1 s PHE 366 CO 0.61 -0.83 1.01 0.00 -0.10 0.00 0.00 175.22 175.90 1gk1 h ALA 367 N 2.28 -0.01 -3.17 5.36 0.00 -0.89 -3.39 119.26 119.45 1gk1 h ALA 367 Ca -0.49 -0.64 -0.67 0.00 0.00 0.00 0.00 54.91 53.12 1gk1 h ALA 367 Cb 1.22 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.78 1gk1 h ALA 367 CO 0.61 0.38 -0.70 0.99 0.00 0.00 0.00 179.25 180.53 1gk1 s THR 368 N -2.85 3.26 0.82 0.00 2.01 0.81 -4.93 115.64 114.76 1gk1 s THR 368 Ca -0.13 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1gk1 s THR 368 Cb 0.02 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.96 1gk1 s THR 368 CO 0.83 0.18 1.09 -2.16 -0.69 0.00 0.00 174.62 173.87 1gk1 s PRO 369 N 1.39 1.90 0.49 4.92 0.04 -1.26 -0.44 135.00 142.04 1gk1 s PRO 369 Ca 0.01 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1gk1 s PRO 369 Cb -0.17 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1gk1 s PRO 369 CO -0.02 -1.84 1.25 -0.46 0.04 0.00 0.00 177.00 175.97 1gk1 s TRP 370 N -2.94 2.62 -0.09 0.56 -0.00 -1.26 -4.54 118.94 113.30 1gk1 s TRP 370 Ca 0.62 1.46 -0.06 0.00 -0.00 0.00 0.00 56.10 58.12 1gk1 s TRP 370 Cb -0.17 -3.57 0.03 0.00 -0.00 0.00 0.00 33.47 29.76 1gk1 s TRP 370 CO 0.56 -2.12 0.22 0.45 -0.00 0.00 0.00 176.95 176.06 1gk1 s SER 371 N -1.16 -0.22 0.46 5.86 0.15 -1.26 -4.95 113.70 112.58 1gk1 s SER 371 Ca 0.67 0.45 0.31 0.00 0.70 0.00 0.00 55.95 58.08 1gk1 s SER 371 Cb -0.34 0.39 1.61 0.00 -1.71 0.00 0.00 66.02 65.97 1gk1 s SER 371 CO 0.41 -0.12 1.96 0.25 1.20 0.00 0.00 173.24 176.93 1gk1 h LEU 372 N 6.60 0.00 -0.44 3.45 5.85 -1.96 -0.29 115.31 128.53 1gk1 h LEU 372 Ca -0.34 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1gk1 h LEU 372 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1gk1 h LEU 372 CO 0.38 0.00 -0.18 0.44 -0.34 0.00 0.00 178.44 178.74 1gk1 h ASP 373 N 0.00 0.00 -2.06 1.25 3.32 -2.01 -3.28 116.42 113.64 1gk1 h ASP 373 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1gk1 h ASP 373 Cb 0.12 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.26 1gk1 h ASP 373 CO 0.00 0.18 -1.08 0.29 -1.72 0.00 0.00 179.24 176.92 1gk1 n LYS 374 N -3.19 1.46 0.30 3.56 5.02 -0.18 -4.97 118.16 120.16 1gk1 n LYS 374 Ca 0.02 -3.70 0.19 0.00 -2.02 0.00 0.00 58.31 52.80 1gk1 n LYS 374 Cb 0.53 -1.82 1.00 0.00 -0.02 0.00 0.00 35.03 34.72 1gk1 n LYS 374 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gk1 h PRO 375 N 3.00 0.00 -0.12 1.97 0.13 -1.46 -2.73 132.00 132.79 1gk1 h PRO 375 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1gk1 h PRO 375 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1gk1 h PRO 375 CO 0.57 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.67 1gk1 n VAL 376 N -3.39 1.52 -0.86 1.56 0.24 -1.26 -4.63 118.33 111.51 1gk1 n VAL 376 Ca -0.02 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 1gk1 n VAL 376 Cb 0.19 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1gk1 n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1gk1 n SER 377 N -0.58 0.25 -4.16 -1.34 3.41 -1.05 -4.97 113.62 105.17 1gk1 n SER 377 Ca 0.11 -1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 57.49 1gk1 n SER 377 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1gk1 n SER 377 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gk1 s THR 378 N -0.11 0.78 1.06 6.66 -4.23 -1.11 -4.58 115.64 114.11 1gk1 s THR 378 Ca 0.00 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1gk1 s THR 378 Cb 0.00 -1.48 0.22 0.00 1.34 0.00 0.00 72.50 72.58 1gk1 s THR 378 CO 0.00 -0.73 1.10 -2.16 -0.54 0.00 0.00 174.62 172.29 1gk1 s PRO 379 N -3.29 -0.08 0.05 3.99 0.04 -1.26 -4.76 135.00 129.69 1gk1 s PRO 379 Ca 0.08 0.35 -0.21 0.00 0.04 0.00 0.00 61.00 61.26 1gk1 s PRO 379 Cb 0.01 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1gk1 s PRO 379 CO -0.02 -3.04 0.48 -0.47 0.04 0.00 0.00 177.00 173.99 1gk1 s TYR 380 N -2.97 -0.37 0.11 0.56 5.04 0.41 -4.95 117.35 115.18 1gk1 s TYR 380 Ca 0.67 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1gk1 s TYR 380 Cb -0.17 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1gk1 s TYR 380 CO 0.57 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.56 1gk1 n GLY 381 N 0.39 -2.42 3.34 8.97 0.00 0.11 -0.14 105.19 115.44 1gk1 n GLY 381 Ca -0.18 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1gk1 n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 382 N -2.74 3.79 0.11 1.61 1.01 -1.26 -2.13 120.40 120.79 1gk1 s VAL 382 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1gk1 s VAL 382 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1gk1 s VAL 382 CO 0.00 0.21 1.65 -0.09 0.00 0.00 0.00 175.10 176.87 1gk1 h ARG 383 N 8.19 0.47 -3.20 2.72 2.43 -1.08 -3.38 114.38 120.53 1gk1 h ARG 383 Ca -0.35 -0.09 -0.63 0.00 -0.81 0.00 0.00 59.98 58.10 1gk1 h ARG 383 Cb 1.14 -0.07 -0.41 0.00 -0.42 0.00 0.00 29.97 30.21 1gk1 h ARG 383 CO 0.60 0.49 -0.65 0.34 -1.51 0.00 0.00 179.97 179.23 1gk1 s ASP 384 N -5.77 4.17 0.22 -3.80 -1.08 -1.26 -4.94 116.67 104.21 1gk1 s ASP 384 Ca -0.13 -3.09 -0.08 0.00 -0.52 0.00 0.00 52.55 48.73 1gk1 s ASP 384 Cb 0.09 -1.46 0.34 0.00 -1.46 0.00 0.00 42.92 40.43 1gk1 s ASP 384 CO 0.74 -0.21 1.72 -0.65 0.52 0.00 0.00 175.17 177.28 1gk1 h PRO 385 N 6.31 0.32 -0.16 4.34 0.11 -1.93 0.48 132.00 141.47 1gk1 h PRO 385 Ca -0.01 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.12 1gk1 h PRO 385 Cb 0.87 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 1gk1 h PRO 385 CO 0.64 0.21 -0.07 -0.22 -0.21 0.00 0.00 178.00 178.35 1gk1 h LYS 386 N 0.33 -0.05 -0.44 1.05 3.11 -1.95 -0.36 116.57 118.26 1gk1 h LYS 386 Ca 0.35 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.11 1gk1 h LYS 386 Cb 0.51 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1gk1 h LYS 386 CO -0.40 -0.03 -0.05 0.00 -2.81 0.00 0.00 179.45 176.16 1gk1 h ALA 387 N 1.10 1.09 -0.19 5.00 0.00 -1.82 -2.44 119.26 122.00 1gk1 h ALA 387 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1gk1 h ALA 387 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gk1 h ALA 387 CO -0.20 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1gk1 h ALA 388 N 1.25 1.62 -0.03 0.00 0.00 -0.18 -1.71 119.26 120.20 1gk1 h ALA 388 Ca 0.13 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1gk1 h ALA 388 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1gk1 h ALA 388 CO 0.03 0.28 -0.73 0.28 0.00 0.00 0.00 179.25 179.11 1gk1 h VAL 389 N 0.28 1.44 -0.61 0.00 2.07 -0.62 -1.78 116.25 117.04 1gk1 h VAL 389 Ca 0.06 -2.29 -0.10 0.00 0.82 0.00 0.00 66.70 65.20 1gk1 h VAL 389 Cb 0.22 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1gk1 h VAL 389 CO 0.01 0.67 0.01 0.44 0.02 0.00 0.00 177.57 178.72 1gk1 h ASP 390 N 0.13 1.05 -0.33 0.57 3.32 -1.03 -1.60 116.42 118.53 1gk1 h ASP 390 Ca -0.02 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1gk1 h ASP 390 Cb 1.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1gk1 h ASP 390 CO 0.11 1.10 0.06 1.56 -1.72 0.00 0.00 179.24 180.34 1gk1 h GLN 391 N 0.98 0.64 -0.55 3.56 4.20 -1.18 -2.09 115.11 120.67 1gk1 h GLN 391 Ca 0.17 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1gk1 h GLN 391 Cb 0.55 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1gk1 h GLN 391 CO 0.03 0.62 -0.03 1.25 -0.67 0.00 0.00 178.83 180.04 1gk1 h LEU 392 N 0.62 0.95 -0.46 1.46 5.85 -0.85 0.12 115.31 122.99 1gk1 h LEU 392 Ca 0.14 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1gk1 h LEU 392 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1gk1 h LEU 392 CO 0.00 1.02 0.29 -0.09 -0.34 0.00 0.00 178.44 179.32 1gk1 h ARG 393 N 0.88 0.56 -0.35 1.25 2.43 -0.67 -0.48 114.38 118.01 1gk1 h ARG 393 Ca 0.16 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1gk1 h ARG 393 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1gk1 h ARG 393 CO 0.03 0.37 -0.27 1.15 -1.51 0.00 0.00 179.97 179.74 1gk1 h THR 394 N 0.58 1.28 -0.40 0.20 2.02 -1.07 -2.84 112.91 112.67 1gk1 h THR 394 Ca 0.18 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 1gk1 h THR 394 Cb -0.01 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1gk1 h THR 394 CO -0.07 0.46 0.14 0.00 0.37 0.00 0.00 175.52 176.41 1gk1 h ALA 395 N 1.08 1.49 -0.48 6.16 0.00 -0.02 -0.53 119.26 126.96 1gk1 h ALA 395 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gk1 h ALA 395 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1gk1 h ALA 395 CO 0.06 0.39 0.15 0.82 0.00 0.00 0.00 179.25 180.67 1gk1 h ILE 396 N 0.57 1.23 -0.48 0.00 2.04 -0.87 0.10 117.51 120.10 1gk1 h ILE 396 Ca 0.14 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 1gk1 h ILE 396 Cb 0.16 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1gk1 h ILE 396 CO -0.01 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.53 1gk1 h ALA 397 N 1.01 0.63 -0.32 1.87 0.00 -1.24 -2.20 119.26 119.01 1gk1 h ALA 397 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1gk1 h ALA 397 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1gk1 h ALA 397 CO -0.00 0.32 -0.17 -0.91 0.00 0.00 0.00 179.25 178.49 1gk1 h ASN 398 N 0.65 0.56 -0.36 0.00 2.35 -0.85 -1.54 115.58 116.39 1gk1 h ASN 398 Ca 0.15 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1gk1 h ASN 398 Cb 0.33 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1gk1 h ASN 398 CO 0.00 0.75 -0.02 0.74 -1.65 0.00 0.00 177.43 177.25 1gk1 h THR 399 N 0.52 1.27 -0.56 2.81 2.02 -0.60 -1.35 112.91 117.02 1gk1 h THR 399 Ca 0.09 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 1gk1 h THR 399 Cb 0.59 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1gk1 h THR 399 CO 0.04 0.34 0.04 0.11 0.37 0.00 0.00 175.52 176.42 1gk1 h LYS 400 N 0.46 0.97 -0.51 6.66 1.57 -1.27 0.14 116.57 124.58 1gk1 h LYS 400 Ca 0.10 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1gk1 h LYS 400 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1gk1 h LYS 400 CO 0.02 0.95 0.31 -0.09 -0.57 0.00 0.00 179.45 180.08 1gk1 h ARG 401 N 0.85 0.69 0.24 3.15 2.43 -1.15 0.39 114.38 120.98 1gk1 h ARG 401 Ca 0.16 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 1gk1 h ARG 401 Cb 0.49 -0.15 0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1gk1 h ARG 401 CO 0.02 0.49 -1.46 0.87 -1.51 0.00 0.00 179.97 178.39 1gk1 h LYS 402 N 0.68 0.53 -0.00 0.20 1.57 -1.11 -3.40 116.57 115.04 1gk1 h LYS 402 Ca 0.18 -0.90 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1gk1 h LYS 402 Cb -0.02 0.33 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1gk1 h LYS 402 CO -0.04 1.43 -0.19 0.66 -0.57 0.00 0.00 179.45 180.74 1gk1 n TYR 403 N -3.71 0.00 -0.82 -1.35 4.01 0.48 -3.45 117.16 112.32 1gk1 n TYR 403 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1gk1 n TYR 403 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 1gk1 n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gk1 n GLY 404 N 1.02 0.73 3.61 2.72 0.00 0.14 -4.87 105.19 108.54 1gk1 n GLY 404 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1gk1 n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 405 N -2.71 -2.07 -1.48 4.61 0.00 -1.26 -4.95 121.76 113.90 1gk1 s ALA 405 Ca 0.00 1.16 0.24 0.00 0.00 0.00 0.00 51.96 53.36 1gk1 s ALA 405 Cb 0.00 0.14 0.30 0.00 0.00 0.00 0.00 23.12 23.56 1gk1 s ALA 405 CO 0.00 -0.78 1.27 0.44 0.00 0.00 0.00 175.76 176.69 1gk1 n ILE 406 N -0.26 0.00 -2.50 0.00 -5.35 -1.26 -4.15 119.36 105.84 1gk1 n ILE 406 Ca -0.04 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1gk1 n ILE 406 Cb 0.60 0.69 0.04 0.00 -1.74 0.00 0.00 39.64 39.23 1gk1 n ILE 406 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1gk1 n ASP 407 N -0.89 2.97 -4.74 7.28 5.75 -1.26 -4.57 116.55 121.08 1gk1 n ASP 407 Ca 0.08 -2.77 -0.40 0.00 -0.01 0.00 0.00 54.79 51.68 1gk1 n ASP 407 Cb 0.37 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 1gk1 n ASP 407 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1gk1 s ARG 408 N -3.69 4.76 0.22 0.11 3.52 -1.26 -4.79 118.95 117.82 1gk1 s ARG 408 Ca 0.37 1.45 -0.32 0.00 -0.13 0.00 0.00 55.73 57.10 1gk1 s ARG 408 Cb 0.36 -3.33 -0.13 0.00 -1.56 0.00 0.00 34.95 30.29 1gk1 s ARG 408 CO -0.01 0.38 1.45 -2.30 -0.81 0.00 0.00 175.30 174.00 1gk1 n PRO 409 N 2.12 2.06 -0.19 5.12 -0.02 -1.26 -4.59 135.00 138.23 1gk1 n PRO 409 Ca -0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1gk1 n PRO 409 Cb 0.48 -2.42 0.10 0.00 -0.02 0.00 0.00 33.50 31.64 1gk1 n PRO 409 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1gk1 h PHE 410 N 4.59 0.15 0.00 6.00 3.57 -0.39 -1.14 116.94 129.72 1gk1 h PHE 410 Ca -0.45 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1gk1 h PHE 410 Cb 1.27 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1gk1 h PHE 410 CO 0.58 -0.05 0.00 0.41 -2.23 0.00 0.00 178.31 177.01 1gk1 n GLY 411 N -1.32 -1.04 0.10 2.40 0.00 0.20 -0.67 105.19 104.85 1gk1 n GLY 411 Ca 0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1gk1 n GLY 411 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gk1 h ASP 412 N 0.00 0.21 0.10 1.61 1.82 -1.41 -3.35 116.42 115.40 1gk1 h ASP 412 Ca 0.00 -0.36 -0.34 0.00 -0.39 0.00 0.00 57.03 55.95 1gk1 h ASP 412 Cb 0.21 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1gk1 h ASP 412 CO 0.00 1.31 -1.84 0.00 -1.61 0.00 0.00 179.24 177.10 1gk1 n ALA 413 N -2.65 0.86 -2.57 -0.78 0.00 -1.11 -4.78 120.51 109.47 1gk1 n ALA 413 Ca -0.18 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.27 1gk1 n ALA 413 Cb 1.04 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1gk1 n ALA 413 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1gk1 s SER 414 N -7.01 6.51 0.18 0.00 0.01 0.15 -0.97 113.70 112.57 1gk1 s SER 414 Ca -0.24 0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.27 1gk1 s SER 414 Cb 0.06 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1gk1 s SER 414 CO 0.73 -1.01 -0.17 -0.13 0.41 0.00 0.00 173.24 173.07 1gk1 s ARG 415 N 3.67 1.30 -0.28 12.44 1.81 -0.14 -0.48 118.95 137.29 1gk1 s ARG 415 Ca 0.36 -1.48 0.02 0.00 -1.72 0.00 0.00 55.73 52.92 1gk1 s ARG 415 Cb -0.10 -1.27 0.06 0.00 -0.45 0.00 0.00 34.95 33.19 1gk1 s ARG 415 CO 0.25 0.24 -0.07 -1.64 -0.68 0.00 0.00 175.30 173.40 1gk1 s MET 416 N -3.10 2.21 -0.22 3.54 -1.94 -0.04 -3.94 119.30 115.82 1gk1 s MET 416 Ca 0.18 -1.38 0.02 0.00 -1.71 0.00 0.00 55.69 52.80 1gk1 s MET 416 Cb -0.04 -2.99 0.04 0.00 2.01 0.00 0.00 34.83 33.85 1gk1 s MET 416 CO 0.07 -0.62 -0.15 0.42 -0.01 0.00 0.00 175.02 174.73 1gk1 s ILE 417 N 1.12 2.19 -0.13 2.53 1.01 -1.26 -1.47 121.20 125.19 1gk1 s ILE 417 Ca -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1gk1 s ILE 417 Cb -0.20 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.21 1gk1 s ILE 417 CO -0.04 0.27 -0.04 -0.76 0.00 0.00 0.00 174.94 174.36 1gk1 s LEU 418 N 1.21 1.22 0.00 2.97 1.02 -0.44 -5.01 118.68 119.66 1gk1 s LEU 418 Ca -0.01 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1gk1 s LEU 418 Cb -0.16 -0.76 0.00 0.00 0.02 0.00 0.00 46.19 45.29 1gk1 s LEU 418 CO -0.09 -0.18 0.00 0.59 0.02 0.00 0.00 176.35 176.70 1gk1 n ASN 419 N 4.97 0.00 -0.38 2.29 3.02 -1.26 -0.76 115.26 123.13 1gk1 n ASN 419 Ca -0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.57 1gk1 n ASN 419 Cb 0.49 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.07 1gk1 n ASN 419 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gk1 n ASP 420 N 6.79 1.34 -4.69 6.41 8.00 -1.26 -4.86 116.55 128.28 1gk1 n ASP 420 Ca 0.00 -1.22 -0.39 0.00 0.71 0.00 0.00 54.79 53.90 1gk1 n ASP 420 Cb 0.00 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1gk1 n ASP 420 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gk1 s VAL 421 N -2.27 5.14 -0.27 2.53 1.01 0.06 -5.04 120.40 121.57 1gk1 s VAL 421 Ca 0.30 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1gk1 s VAL 421 Cb 0.20 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1gk1 s VAL 421 CO 0.43 0.24 0.06 0.21 0.00 0.00 0.00 175.10 176.05 1gk1 s ASN 422 N 0.92 3.65 0.15 3.32 3.84 -1.26 -1.32 114.94 124.24 1gk1 s ASN 422 Ca 0.25 -1.33 0.11 0.00 0.21 0.00 0.00 52.86 52.11 1gk1 s ASN 422 Cb -0.15 -0.80 -0.04 0.00 -0.55 0.00 0.00 41.25 39.71 1gk1 s ASN 422 CO 0.10 -0.36 -0.25 0.68 -2.79 0.00 0.00 177.10 174.47 1gk1 s VAL 423 N 1.68 2.25 0.44 -5.21 -7.23 -0.54 -4.96 120.40 106.83 1gk1 s VAL 423 Ca 0.05 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 1gk1 s VAL 423 Cb -0.17 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 1gk1 s VAL 423 CO -0.18 0.00 1.32 -2.16 -0.31 0.00 0.00 175.10 173.77 1gk1 s PRO 424 N -2.28 3.79 0.46 4.82 0.04 -1.26 -0.86 135.00 139.71 1gk1 s PRO 424 Ca 0.16 2.18 0.06 0.00 0.04 0.00 0.00 61.00 63.44 1gk1 s PRO 424 Cb -0.09 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1gk1 s PRO 424 CO 0.07 -0.65 0.64 0.20 0.04 0.00 0.00 177.00 177.30 1gk1 s GLY 425 N -0.78 1.91 0.19 0.56 0.00 0.37 -4.74 107.32 104.83 1gk1 s GLY 425 Ca 0.60 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1gk1 s GLY 425 CO 0.49 -1.37 0.57 0.00 0.00 0.00 0.00 173.10 172.79 1gk1 s ALA 426 N -2.48 -1.23 0.29 3.20 0.00 -1.26 -4.13 121.76 116.15 1gk1 s ALA 426 Ca 0.56 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1gk1 s ALA 426 Cb -0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1gk1 s ALA 426 CO 0.35 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 175.29 1gk1 n ALA 427 N -0.36 -2.16 -2.09 0.00 0.00 0.04 -4.85 120.51 111.09 1gk1 n ALA 427 Ca -0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1gk1 n ALA 427 Cb 0.63 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1gk1 n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gk1 n GLY 428 N -3.51 3.42 3.72 0.00 0.00 -1.25 -4.71 105.19 102.86 1gk1 n GLY 428 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1gk1 n GLY 428 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gk1 s TYR 429 N 0.14 2.98 0.30 1.61 2.02 -1.23 -2.03 117.35 121.13 1gk1 s TYR 429 Ca 0.00 0.51 0.01 0.00 -0.37 0.00 0.00 57.07 57.23 1gk1 s TYR 429 Cb 0.00 -4.00 0.49 0.00 -0.40 0.00 0.00 41.96 38.05 1gk1 s TYR 429 CO 0.00 -3.75 1.84 0.78 -1.57 0.00 0.00 175.55 172.85 1gk1 h GLY 430 N 6.89 0.73 2.00 0.71 0.00 -1.90 -2.55 103.07 108.95 1gk1 h GLY 430 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1gk1 h GLY 430 CO 0.93 0.41 0.00 0.70 0.00 0.00 0.00 176.54 178.57 1gk1 n ASN 431 N -4.27 0.08 -0.45 0.19 3.02 -1.26 -0.85 115.26 111.71 1gk1 n ASN 431 Ca 0.03 0.52 0.12 0.00 -0.03 0.00 0.00 54.58 55.22 1gk1 n ASN 431 Cb 0.24 -0.54 0.24 0.00 -0.61 0.00 0.00 39.78 39.11 1gk1 n ASN 431 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gk1 n LEU 432 N -1.59 1.68 0.00 3.41 4.77 -0.97 -4.42 117.00 119.88 1gk1 n LEU 432 Ca 0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1gk1 n LEU 432 Cb 0.14 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gk1 n LEU 432 CO 0.11 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1gk1 n GLY 433 N 1.34 1.22 3.69 -0.72 0.00 -0.03 -1.66 105.19 109.03 1gk1 n GLY 433 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1gk1 n GLY 433 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gk1 s SER 434 N -1.97 6.57 -0.11 1.61 0.15 -1.10 -4.42 113.70 114.42 1gk1 s SER 434 Ca 0.00 2.53 -0.28 0.00 0.70 0.00 0.00 55.95 58.90 1gk1 s SER 434 Cb 0.00 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.50 1gk1 s SER 434 CO 0.00 -0.91 0.88 0.15 1.20 0.00 0.00 173.24 174.56 1gk1 h PHE 435 N 8.40 0.03 -3.21 3.44 3.57 -1.73 -3.37 116.94 124.08 1gk1 h PHE 435 Ca -0.43 -0.02 -0.55 0.00 3.53 0.00 0.00 57.97 60.50 1gk1 h PHE 435 Cb 1.20 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1gk1 h PHE 435 CO 0.78 0.91 0.58 0.50 -2.23 0.00 0.00 178.31 178.86 1gk1 s ARG 436 N -2.65 4.42 -0.07 1.11 3.52 -0.82 -4.96 118.95 119.50 1gk1 s ARG 436 Ca -0.18 1.57 0.02 0.00 -0.13 0.00 0.00 55.73 57.01 1gk1 s ARG 436 Cb -0.02 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1gk1 s ARG 436 CO 0.70 -0.31 -0.10 0.08 -0.81 0.00 0.00 175.30 174.85 1gk1 s VAL 437 N 1.76 3.40 -0.25 7.11 1.01 -1.26 -3.97 120.40 128.20 1gk1 s VAL 437 Ca 0.54 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1gk1 s VAL 437 Cb -0.23 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.88 1gk1 s VAL 437 CO 0.23 0.59 0.18 -0.36 0.00 0.00 0.00 175.10 175.74 1gk1 s PHE 438 N -0.67 -0.02 -0.86 5.22 0.08 -0.86 -0.57 117.98 120.29 1gk1 s PHE 438 Ca 0.10 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 1gk1 s PHE 438 Cb -0.11 -0.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.77 1gk1 s PHE 438 CO 0.01 -0.76 1.20 0.99 -0.10 0.00 0.00 175.22 176.56 1gk1 s THR 439 N 2.22 4.25 0.35 0.64 2.01 0.11 -3.55 115.64 121.66 1gk1 s THR 439 Ca 0.08 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 1gk1 s THR 439 Cb -0.15 -4.85 -0.10 0.00 0.01 0.00 0.00 72.50 67.40 1gk1 s THR 439 CO -0.26 -1.67 1.27 0.26 -0.69 0.00 0.00 174.62 173.53 1gk1 s TRP 440 N 4.14 3.04 0.97 4.92 0.52 -1.26 -0.97 118.94 130.30 1gk1 s TRP 440 Ca 0.34 1.45 -0.16 0.00 0.02 0.00 0.00 56.10 57.75 1gk1 s TRP 440 Cb -0.07 -3.62 0.23 0.00 -1.15 0.00 0.00 33.47 28.86 1gk1 s TRP 440 CO -0.01 -1.75 1.25 -1.13 0.02 0.00 0.00 176.95 175.33 1gk1 n SER 441 N 0.60 -0.18 -4.78 2.95 3.41 -0.35 -4.85 113.62 110.43 1gk1 n SER 441 Ca 0.01 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.85 1gk1 n SER 441 Cb 0.43 -0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1gk1 n SER 441 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1gk1 s ASP 442 N -5.49 6.27 0.73 4.04 1.01 -1.26 -4.65 116.67 117.31 1gk1 s ASP 442 Ca 0.72 2.10 -0.12 0.00 0.71 0.00 0.00 52.55 55.96 1gk1 s ASP 442 Cb -0.02 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1gk1 s ASP 442 CO 0.51 -0.84 1.09 -2.16 0.21 0.00 0.00 175.17 173.98 1gk1 s PRO 443 N -2.94 2.50 0.18 8.23 0.04 -1.26 -4.68 135.00 137.07 1gk1 s PRO 443 Ca 0.65 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 1gk1 s PRO 443 Cb -0.22 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1gk1 s PRO 443 CO 0.27 -1.45 0.25 -0.40 0.04 0.00 0.00 177.00 175.70 1gk1 n ASP 444 N -3.20 0.30 -0.38 6.66 5.68 -0.20 -4.81 116.55 120.59 1gk1 n ASP 444 Ca 0.09 -1.26 0.32 0.00 -0.50 0.00 0.00 54.79 53.44 1gk1 n ASP 444 Cb 0.53 -0.16 0.63 0.00 -1.14 0.00 0.00 41.12 40.97 1gk1 n ASP 444 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1gk1 h GLU 445 N 0.00 0.18 -0.70 0.11 4.39 -1.94 0.16 114.58 116.78 1gk1 h GLU 445 Ca -0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1gk1 h GLU 445 Cb 0.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1gk1 h GLU 445 CO 0.09 0.12 0.00 0.09 -1.16 0.00 0.00 179.01 178.14 1gk1 n ASN 446 N -4.50 4.19 -0.39 1.42 3.02 -1.26 -4.94 115.26 112.80 1gk1 n ASN 446 Ca 0.30 -2.17 -0.05 0.00 -0.03 0.00 0.00 54.58 52.64 1gk1 n ASN 446 Cb 1.20 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 1gk1 n ASN 446 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk1 n GLY 447 N 1.46 0.65 3.72 7.41 0.00 0.56 -4.94 105.19 114.05 1gk1 n GLY 447 Ca 0.25 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1gk1 n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 448 N -2.19 5.35 0.16 1.61 1.01 -1.26 -4.55 120.40 120.54 1gk1 s VAL 448 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1gk1 s VAL 448 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1gk1 s VAL 448 CO 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.34 1gk1 s ARG 449 N 0.54 1.22 0.16 2.72 1.70 -0.14 -1.04 118.95 124.11 1gk1 s ARG 449 Ca 0.12 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1gk1 s ARG 449 Cb -0.12 -1.17 -0.04 0.00 -0.57 0.00 0.00 34.95 33.04 1gk1 s ARG 449 CO 0.01 0.22 0.04 0.95 -1.08 0.00 0.00 175.30 175.45 1gk1 s THR 450 N -2.30 0.40 0.25 4.99 -4.23 -1.26 -0.96 115.64 112.53 1gk1 s THR 450 Ca 0.16 -1.95 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 1gk1 s THR 450 Cb -0.04 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 71.56 1gk1 s THR 450 CO 0.06 -0.41 1.32 -2.84 -0.54 0.00 0.00 174.62 172.21 1gk1 s PRO 451 N -3.99 4.37 -0.04 3.99 0.02 -1.25 -1.21 135.00 136.88 1gk1 s PRO 451 Ca 0.26 2.14 0.12 0.00 0.02 0.00 0.00 61.00 63.54 1gk1 s PRO 451 Cb 0.07 -3.14 -0.18 0.00 0.02 0.00 0.00 34.50 31.27 1gk1 s PRO 451 CO 0.04 -0.24 0.21 0.28 -0.33 0.00 0.00 177.00 176.97 1gk1 n VAL 452 N 1.93 0.22 -3.49 3.83 0.31 -0.14 -4.87 118.33 116.11 1gk1 n VAL 452 Ca 0.04 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.92 1gk1 n VAL 452 Cb 0.42 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1gk1 n VAL 452 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1gk1 s HIS 453 N -2.72 -0.44 -1.62 3.52 5.65 -1.22 -1.79 115.29 116.67 1gk1 s HIS 453 Ca -0.05 0.40 0.00 0.00 0.25 0.00 0.00 55.06 55.66 1gk1 s HIS 453 Cb 0.07 0.52 0.00 0.00 -1.18 0.00 0.00 32.58 31.99 1gk1 s HIS 453 CO 0.52 -0.62 0.00 0.41 -0.65 0.00 0.00 174.74 174.40 1gk1 n GLY 454 N -0.04 0.48 3.64 1.59 0.00 -1.15 0.04 105.19 109.76 1gk1 n GLY 454 Ca -0.13 -1.33 -0.50 0.00 0.00 0.00 0.00 46.02 44.07 1gk1 n GLY 454 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gk1 n GLU 455 N 0.00 1.64 0.00 1.61 -0.58 0.27 -3.18 120.64 120.40 1gk1 n GLU 455 Ca 0.00 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1gk1 n GLU 455 Cb 0.00 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.56 1gk1 n GLU 455 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1gk1 n THR 456 N 3.40 0.00 -3.14 2.62 -2.24 -1.24 -4.64 114.28 109.05 1gk1 n THR 456 Ca 0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.58 1gk1 n THR 456 Cb 0.23 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1gk1 n THR 456 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1gk1 s TRP 457 N 0.22 3.49 -0.08 4.78 -0.11 -1.26 -1.86 118.94 124.12 1gk1 s TRP 457 Ca 0.00 1.05 -0.01 0.00 1.22 0.00 0.00 56.10 58.36 1gk1 s TRP 457 Cb 0.00 -2.74 0.03 0.00 -1.50 0.00 0.00 33.47 29.25 1gk1 s TRP 457 CO 0.00 0.01 -0.03 0.08 -4.62 0.00 0.00 176.95 172.39 1gk1 s VAL 458 N 1.17 0.58 -0.10 5.86 1.01 -0.31 -3.72 120.40 124.89 1gk1 s VAL 458 Ca 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1gk1 s VAL 458 Cb -0.16 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1gk1 s VAL 458 CO 0.13 0.28 0.25 0.00 0.00 0.00 0.00 175.10 175.76 1gk1 s ALA 459 N 1.67 -0.61 -0.11 5.51 0.00 -0.58 -1.02 121.76 126.62 1gk1 s ALA 459 Ca 0.01 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1gk1 s ALA 459 Cb -0.13 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1gk1 s ALA 459 CO -0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 175.76 175.46 1gk1 s MET 460 N 0.27 1.99 -0.04 0.00 0.23 -0.57 -0.39 119.30 120.80 1gk1 s MET 460 Ca -0.01 -0.46 0.07 0.00 -1.03 0.00 0.00 55.69 54.25 1gk1 s MET 460 Cb -0.03 -1.78 -0.02 0.00 -1.53 0.00 0.00 34.83 31.47 1gk1 s MET 460 CO -0.01 -0.13 -0.25 0.42 -2.03 0.00 0.00 175.02 173.03 1gk1 s ILE 461 N 1.20 2.14 -0.22 3.16 1.09 -0.03 -2.09 121.20 126.45 1gk1 s ILE 461 Ca -0.03 -1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 58.42 1gk1 s ILE 461 Cb -0.14 -1.76 -0.01 0.00 -1.06 0.00 0.00 42.46 39.49 1gk1 s ILE 461 CO -0.04 0.58 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.64 1gk1 s GLU 462 N -0.43 3.42 -1.44 2.79 2.12 -0.02 -1.02 118.70 124.12 1gk1 s GLU 462 Ca 0.05 -0.61 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 1gk1 s GLU 462 Cb -0.12 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1gk1 s GLU 462 CO 0.01 -0.16 2.80 1.19 -0.54 0.00 0.00 175.26 178.56 1gk1 n PHE 463 N 4.72 2.36 -2.17 5.30 3.72 0.15 -2.13 117.46 129.41 1gk1 n PHE 463 Ca -0.18 -2.92 -0.12 0.00 -0.05 0.00 0.00 57.45 54.18 1gk1 n PHE 463 Cb 0.51 -2.23 0.07 0.00 -0.94 0.00 0.00 39.48 36.89 1gk1 n PHE 463 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gk1 n SER 464 N 2.88 0.50 -3.92 4.37 3.41 -1.26 -4.51 113.62 115.09 1gk1 n SER 464 Ca 0.72 -1.47 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 1gk1 n SER 464 Cb 0.27 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 1gk1 n SER 464 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gk1 s THR 465 N -1.65 1.49 0.75 6.66 2.01 -1.26 -2.05 115.64 121.59 1gk1 s THR 465 Ca 0.33 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 1gk1 s THR 465 Cb -0.02 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 70.72 1gk1 s THR 465 CO 0.22 -0.18 1.10 -2.16 -0.69 0.00 0.00 174.62 172.91 1gk1 s PRO 466 N 1.40 2.50 0.84 4.92 0.04 -1.26 -5.12 135.00 138.32 1gk1 s PRO 466 Ca -0.03 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 1gk1 s PRO 466 Cb -0.19 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.48 1gk1 s PRO 466 CO -0.08 -1.30 1.16 0.14 0.04 0.00 0.00 177.00 176.96 1gk1 s VAL 467 N -3.28 2.29 -0.09 -0.36 -7.23 -0.87 -5.01 120.40 105.85 1gk1 s VAL 467 Ca 0.59 0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.88 1gk1 s VAL 467 Cb -0.12 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1gk1 s VAL 467 CO 0.53 -0.11 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.51 1gk1 s ARG 468 N -4.47 1.56 0.01 4.82 3.52 -0.91 -4.92 118.95 118.55 1gk1 s ARG 468 Ca 0.68 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1gk1 s ARG 468 Cb -0.24 -1.48 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 1gk1 s ARG 468 CO 0.54 -0.14 -0.02 0.00 -0.81 0.00 0.00 175.30 174.87 1gk1 s ALA 469 N 1.26 0.09 0.05 6.12 0.00 -1.26 -0.84 121.76 127.18 1gk1 s ALA 469 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1gk1 s ALA 469 Cb -0.14 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1gk1 s ALA 469 CO -0.03 -0.06 -0.15 0.71 0.00 0.00 0.00 175.76 176.23 1gk1 s TYR 470 N -0.66 1.27 0.39 0.00 1.51 -0.89 -0.18 117.35 118.80 1gk1 s TYR 470 Ca -0.07 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.46 1gk1 s TYR 470 Cb -0.05 -0.74 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1gk1 s TYR 470 CO -0.00 0.05 0.78 0.20 -1.11 0.00 0.00 175.55 175.47 1gk1 s GLY 471 N -1.36 0.48 -0.12 0.71 0.00 -0.22 -1.51 107.32 105.30 1gk1 s GLY 471 Ca 0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1gk1 s GLY 471 CO 0.02 -0.37 0.85 -2.27 0.00 0.00 0.00 173.10 171.33 1gk1 s LEU 472 N -3.09 -0.51 -0.27 0.66 2.96 -0.19 -1.54 118.68 116.70 1gk1 s LEU 472 Ca 0.17 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1gk1 s LEU 472 Cb -0.05 2.18 0.08 0.00 0.50 0.00 0.00 46.19 48.90 1gk1 s LEU 472 CO 0.12 -0.45 0.03 -0.32 -1.32 0.00 0.00 176.35 174.42 1gk1 s MET 473 N -1.03 1.08 0.14 1.98 -2.45 -1.26 -1.16 119.30 116.60 1gk1 s MET 473 Ca -0.06 -1.02 -0.28 0.00 -1.25 0.00 0.00 55.69 53.09 1gk1 s MET 473 Cb -0.01 -2.35 -0.06 0.00 1.25 0.00 0.00 34.83 33.66 1gk1 s MET 473 CO 0.05 -0.79 1.37 0.43 1.05 0.00 0.00 175.02 177.13 1gk1 n SER 474 N 4.76 -0.95 -2.03 1.11 7.64 -0.78 -1.84 113.62 121.54 1gk1 n SER 474 Ca -0.06 1.59 -0.21 0.00 1.01 0.00 0.00 58.87 61.20 1gk1 n SER 474 Cb 0.44 -0.21 0.13 0.00 -1.01 0.00 0.00 64.21 63.56 1gk1 n SER 474 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gk1 n TYR 475 N -5.12 2.51 -1.99 1.43 0.18 -1.26 -3.64 117.16 109.27 1gk1 n TYR 475 Ca 0.02 -1.79 0.07 0.00 1.88 0.00 0.00 57.90 58.08 1gk1 n TYR 475 Cb 0.23 -0.90 -0.02 0.00 -0.38 0.00 0.00 39.34 38.27 1gk1 n TYR 475 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1gk1 n GLY 476 N -0.76 -1.88 0.81 -7.48 0.00 -0.76 -4.56 105.19 90.55 1gk1 n GLY 476 Ca 0.49 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1gk1 n GLY 476 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gk1 n ASN 477 N -2.21 2.98 -3.76 1.61 5.15 -0.66 -4.93 115.26 113.43 1gk1 n ASN 477 Ca 0.00 -1.89 -0.13 0.00 -0.60 0.00 0.00 54.58 51.97 1gk1 n ASN 477 Cb 0.24 -0.22 -0.10 0.00 -0.53 0.00 0.00 39.78 39.17 1gk1 n ASN 477 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1gk1 s SER 478 N -1.09 -0.27 -0.01 1.20 0.15 -0.84 -4.84 113.70 108.00 1gk1 s SER 478 Ca 0.28 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.36 1gk1 s SER 478 Cb 0.16 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1gk1 s SER 478 CO 0.21 -0.24 0.79 -1.14 1.20 0.00 0.00 173.24 174.06 1gk1 n ARG 479 N 2.27 1.45 -2.15 5.44 0.63 -1.26 -3.78 116.66 119.26 1gk1 n ARG 479 Ca -0.16 -1.09 -0.37 0.00 -0.92 0.00 0.00 57.85 55.31 1gk1 n ARG 479 Cb 0.57 -0.78 0.01 0.00 0.45 0.00 0.00 32.46 32.71 1gk1 n ARG 479 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1gk1 s GLN 480 N -0.61 3.46 -0.10 -0.14 -1.52 -1.26 -4.90 119.66 114.60 1gk1 s GLN 480 Ca 0.02 1.82 -0.37 0.00 -1.95 0.00 0.00 55.36 54.88 1gk1 s GLN 480 Cb 0.01 -2.23 -0.14 0.00 -0.22 0.00 0.00 33.01 30.43 1gk1 s GLN 480 CO 0.00 -0.81 1.69 -2.30 -0.25 0.00 0.00 175.29 173.63 1gk1 n PRO 481 N -0.90 1.60 -1.08 2.91 -0.02 -1.26 -2.01 135.00 134.24 1gk1 n PRO 481 Ca 0.10 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 62.13 1gk1 n PRO 481 Cb 0.48 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1gk1 n PRO 481 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk1 n GLY 482 N 3.86 0.60 3.81 -1.23 0.00 -1.26 -5.03 105.19 105.93 1gk1 n GLY 482 Ca 0.23 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1gk1 n GLY 482 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gk1 s THR 483 N -2.05 3.97 -2.52 2.61 -1.32 -0.85 -4.95 115.64 110.53 1gk1 s THR 483 Ca 0.00 0.93 0.23 0.00 -1.21 0.00 0.00 61.69 61.64 1gk1 s THR 483 Cb 0.00 -3.46 0.40 0.00 -1.51 0.00 0.00 72.50 67.93 1gk1 s THR 483 CO 0.00 -0.56 1.42 0.35 -2.21 0.00 0.00 174.62 173.62 1gk1 n THR 484 N -1.97 0.37 -1.83 5.08 -2.24 -1.26 -4.41 114.28 108.02 1gk1 n THR 484 Ca 0.08 -0.63 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1gk1 n THR 484 Cb 0.53 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.73 1gk1 n THR 484 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gk1 n HIS 485 N 1.24 2.85 -0.08 4.78 8.25 -1.26 -4.38 115.22 126.61 1gk1 n HIS 485 Ca 0.18 -2.43 -0.16 0.00 -0.26 0.00 0.00 57.72 55.05 1gk1 n HIS 485 Cb 0.55 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1gk1 n HIS 485 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1gk1 n TYR 486 N -0.77 0.00 -0.64 4.41 9.36 -1.25 -1.65 117.16 126.62 1gk1 n TYR 486 Ca 0.49 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.79 1gk1 n TYR 486 Cb 0.89 -0.59 0.26 0.00 -0.63 0.00 0.00 39.34 39.26 1gk1 n TYR 486 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1gk1 n SER 487 N -3.59 3.88 -0.51 2.98 3.41 -1.26 -2.80 113.62 115.73 1gk1 n SER 487 Ca -0.31 -2.55 0.04 0.00 -0.26 0.00 0.00 58.87 55.79 1gk1 n SER 487 Cb 0.74 -0.46 0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1gk1 n SER 487 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gk1 n ASP 488 N 0.28 1.47 0.00 4.04 5.75 -1.26 -3.89 116.55 122.93 1gk1 n ASP 488 Ca 0.20 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1gk1 n ASP 488 Cb 0.76 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1gk1 n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gk1 n GLN 489 N 0.23 3.14 0.27 0.11 6.02 -1.26 -4.79 117.38 121.10 1gk1 n GLN 489 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1gk1 n GLN 489 Cb 0.25 -0.59 0.70 0.00 1.02 0.00 0.00 30.24 31.62 1gk1 n GLN 489 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1gk1 h ILE 490 N 0.00 0.89 -0.24 5.09 6.09 -1.67 -1.65 117.51 126.01 1gk1 h ILE 490 Ca 0.00 -0.05 -0.07 0.00 -1.37 0.00 0.00 64.86 63.37 1gk1 h ILE 490 Cb 0.00 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.31 1gk1 h ILE 490 CO 0.00 0.01 -0.14 -0.08 -3.07 0.00 0.00 178.15 174.88 1gk1 h GLU 491 N 0.00 0.52 -0.70 2.19 4.22 -1.86 -1.80 114.58 117.14 1gk1 h GLU 491 Ca -0.00 -0.23 -0.04 0.00 0.08 0.00 0.00 59.36 59.17 1gk1 h GLU 491 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1gk1 h GLU 491 CO 0.00 0.79 0.29 0.00 -2.18 0.00 0.00 179.01 177.91 1gk1 h ARG 492 N 0.23 1.03 -0.37 1.92 3.08 -1.65 -2.12 114.38 116.49 1gk1 h ARG 492 Ca 0.05 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1gk1 h ARG 492 Cb 0.65 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1gk1 h ARG 492 CO 0.04 0.83 0.21 0.28 -1.07 0.00 0.00 179.97 180.27 1gk1 h VAL 493 N 1.01 1.03 -0.65 2.04 2.07 -1.20 0.22 116.25 120.77 1gk1 h VAL 493 Ca 0.24 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.72 1gk1 h VAL 493 Cb 0.18 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1gk1 h VAL 493 CO -0.02 0.08 0.43 -1.28 0.02 0.00 0.00 177.57 176.80 1gk1 h SER 494 N 0.44 0.37 -0.54 0.57 0.87 -0.69 -0.76 113.55 113.80 1gk1 h SER 494 Ca 0.15 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1gk1 h SER 494 Cb 0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1gk1 h SER 494 CO -0.07 0.22 0.00 0.54 -0.53 0.00 0.00 176.83 176.98 1gk1 n ARG 495 N -4.47 2.67 -3.95 2.24 1.74 -0.72 -4.96 116.66 109.21 1gk1 n ARG 495 Ca 0.11 -2.38 -0.29 0.00 -0.77 0.00 0.00 57.85 54.53 1gk1 n ARG 495 Cb 0.42 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1gk1 n ARG 495 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk1 n ALA 496 N 1.25 -1.61 -3.58 7.54 0.00 0.50 -4.91 120.51 119.69 1gk1 n ALA 496 Ca 0.19 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1gk1 n ALA 496 Cb 0.55 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.92 1gk1 n ALA 496 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gk1 s ASP 497 N -3.78 5.72 0.39 0.00 2.15 0.28 -5.02 116.67 116.40 1gk1 s ASP 497 Ca 0.38 -2.43 -0.25 0.00 0.43 0.00 0.00 52.55 50.68 1gk1 s ASP 497 Cb -0.20 -1.98 -0.09 0.00 -0.30 0.00 0.00 42.92 40.35 1gk1 s ASP 497 CO 0.86 -0.54 1.07 -0.36 -0.17 0.00 0.00 175.17 176.03 1gk1 s PHE 498 N 0.57 3.27 0.30 -5.34 0.40 -1.26 -4.68 117.98 111.24 1gk1 s PHE 498 Ca 0.13 1.64 -0.16 0.00 -0.60 0.00 0.00 56.93 57.93 1gk1 s PHE 498 Cb -0.20 -3.17 -0.09 0.00 0.51 0.00 0.00 43.02 40.07 1gk1 s PHE 498 CO -0.04 -0.70 0.74 1.03 0.70 0.00 0.00 175.22 176.95 1gk1 s ARG 499 N -2.38 4.07 0.02 0.44 0.52 -0.59 -4.84 118.95 116.19 1gk1 s ARG 499 Ca 0.57 0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 56.22 1gk1 s ARG 499 Cb -0.24 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1gk1 s ARG 499 CO 0.30 0.21 0.87 -2.00 0.02 0.00 0.00 175.30 174.70 1gk1 s GLU 500 N -2.74 4.55 -0.18 3.54 2.12 -1.26 -1.06 118.70 123.67 1gk1 s GLU 500 Ca 0.52 1.24 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 1gk1 s GLU 500 Cb -0.12 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1gk1 s GLU 500 CO 0.18 0.11 1.00 -0.51 -0.54 0.00 0.00 175.26 175.50 1gk1 s LEU 501 N 0.50 4.15 -0.52 2.70 1.43 0.75 -4.90 118.68 122.80 1gk1 s LEU 501 Ca 0.45 1.40 -0.23 0.00 -1.03 0.00 0.00 54.13 54.72 1gk1 s LEU 501 Cb -0.21 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1gk1 s LEU 501 CO 0.25 -0.57 0.85 -0.76 0.23 0.00 0.00 176.35 176.36 1gk1 s LEU 502 N 2.70 4.28 -0.15 1.79 1.02 -1.26 -4.59 118.68 122.47 1gk1 s LEU 502 Ca 0.45 -0.39 0.11 0.00 0.02 0.00 0.00 54.13 54.32 1gk1 s LEU 502 Cb -0.16 -2.80 -0.17 0.00 0.02 0.00 0.00 46.19 43.08 1gk1 s LEU 502 CO 0.11 -1.10 0.02 0.18 0.02 0.00 0.00 176.35 175.58 1gk1 n LEU 503 N 7.07 0.42 -4.73 1.79 4.32 -1.26 -4.82 117.00 119.78 1gk1 n LEU 503 Ca 0.00 -0.01 -0.41 0.00 -0.02 0.00 0.00 56.01 55.57 1gk1 n LEU 503 Cb 0.47 0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 42.44 1gk1 n LEU 503 CO 0.61 0.42 0.67 -0.13 -1.22 0.00 0.00 177.39 177.74 1gk1 s ARG 504 N -2.35 4.70 0.31 3.23 0.52 -1.26 -4.94 118.95 119.17 1gk1 s ARG 504 Ca -0.10 1.47 0.09 0.00 -0.52 0.00 0.00 55.73 56.67 1gk1 s ARG 504 Cb 0.05 -3.37 0.89 0.00 0.52 0.00 0.00 34.95 33.03 1gk1 s ARG 504 CO 0.56 0.22 1.69 -0.09 0.02 0.00 0.00 175.30 177.70 1gk1 h ARG 505 N 5.50 0.41 -0.11 3.54 9.65 -1.99 0.66 114.38 132.04 1gk1 h ARG 505 Ca -0.43 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.33 1gk1 h ARG 505 Cb 1.21 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 1gk1 h ARG 505 CO 0.72 0.27 -0.36 1.05 2.80 0.00 0.00 179.97 184.44 1gk1 h GLU 506 N 0.42 0.22 -0.22 0.20 9.09 -1.99 -0.51 114.58 121.79 1gk1 h GLU 506 Ca 0.64 -0.09 -0.13 0.00 0.05 0.00 0.00 59.36 59.83 1gk1 h GLU 506 Cb 1.30 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1gk1 h GLU 506 CO -0.55 0.56 -0.37 1.96 0.05 0.00 0.00 179.01 180.66 1gk1 h GLN 507 N 0.19 0.63 -0.17 1.06 4.20 -1.30 -2.55 115.11 117.16 1gk1 h GLN 507 Ca 0.02 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 1gk1 h GLN 507 Cb 0.73 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1gk1 h GLN 507 CO 0.06 1.01 0.10 0.28 -0.67 0.00 0.00 178.83 179.61 1gk1 h VAL 508 N 0.33 1.08 -0.27 -0.54 2.07 -1.03 -2.54 116.25 115.35 1gk1 h VAL 508 Ca 0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1gk1 h VAL 508 Cb 0.97 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1gk1 h VAL 508 CO 0.08 0.08 0.18 -0.33 0.02 0.00 0.00 177.57 177.60 1gk1 h GLU 509 N 0.20 0.36 0.00 1.57 5.08 -1.12 -1.21 114.58 119.46 1gk1 h GLU 509 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1gk1 h GLU 509 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1gk1 h GLU 509 CO -0.01 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 1gk1 n ALA 510 N -2.50 2.10 0.03 3.43 0.00 -0.96 -3.43 120.51 119.18 1gk1 n ALA 510 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1gk1 n ALA 510 Cb 0.07 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.12 1gk1 n ALA 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 n ALA 511 N -1.60 2.30 -1.75 0.00 0.00 -0.54 -5.05 120.51 113.86 1gk1 n ALA 511 Ca 0.05 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1gk1 n ALA 511 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 1gk1 n ALA 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gk1 n VAL 512 N -0.08 1.29 0.00 0.00 0.31 -0.72 -4.89 118.33 114.23 1gk1 n VAL 512 Ca 0.01 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1gk1 n VAL 512 Cb 0.15 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1gk1 n VAL 512 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gk1 n GLN 513 N 1.69 2.49 -4.14 5.55 1.13 -1.26 -5.05 117.38 117.79 1gk1 n GLN 513 Ca 0.07 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 1gk1 n GLN 513 Cb 0.37 -0.98 -0.14 0.00 0.11 0.00 0.00 30.24 29.61 1gk1 n GLN 513 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1gk1 s GLU 514 N -1.95 0.46 -0.11 -1.09 2.02 -1.26 -5.14 118.70 111.63 1gk1 s GLU 514 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1gk1 s GLU 514 Cb 0.00 -0.39 0.02 0.00 0.10 0.00 0.00 34.13 33.85 1gk1 s GLU 514 CO 0.00 0.10 -0.15 1.03 0.02 0.00 0.00 175.26 176.26 1gk1 s ARG 515 N -0.51 2.20 -0.47 1.61 0.52 -1.26 -5.09 118.95 115.95 1gk1 s ARG 515 Ca -0.01 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1gk1 s ARG 515 Cb -0.04 -1.90 0.13 0.00 0.52 0.00 0.00 34.95 33.66 1gk1 s ARG 515 CO -0.00 -0.09 0.23 0.99 0.02 0.00 0.00 175.30 176.45 1gk1 s THR 516 N 1.07 2.18 0.47 0.02 2.01 -1.26 -5.10 115.64 115.03 1gk1 s THR 516 Ca -0.05 -2.94 -0.21 0.00 0.31 0.00 0.00 61.69 58.80 1gk1 s THR 516 Cb -0.15 -2.53 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 1gk1 s THR 516 CO -0.03 -0.80 1.05 -2.16 -0.69 0.00 0.00 174.62 171.99 1gk1 s PRO 517 N 0.08 3.83 0.03 4.92 0.04 -1.26 -5.04 135.00 137.60 1gk1 s PRO 517 Ca 0.16 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1gk1 s PRO 517 Cb -0.25 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 1gk1 s PRO 517 CO -0.02 -0.41 0.14 -0.59 0.04 0.00 0.00 177.00 176.16 1gk1 s PHE 518 N -1.89 0.10 -0.22 0.56 -0.71 -1.26 -5.13 117.98 109.44 1gk1 s PHE 518 Ca 0.66 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 56.24 1gk1 s PHE 518 Cb -0.18 -0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1gk1 s PHE 518 CO 0.22 -0.36 -0.13 1.21 -1.34 0.00 0.00 175.22 174.83 1gk1 s ASN 519 N -1.87 3.81 -0.27 1.98 3.04 -1.26 -5.10 114.94 115.28 1gk1 s ASN 519 Ca -0.08 -0.82 -0.11 0.00 0.04 0.00 0.00 52.86 51.89 1gk1 s ASN 519 Cb -0.03 -1.57 -0.05 0.00 -1.54 0.00 0.00 41.25 38.06 1gk1 s ASN 519 CO -0.02 -0.07 0.18 0.12 -3.04 0.00 0.00 177.10 174.27 1gk1 s PHE 520 N 1.29 3.23 -0.84 0.43 5.36 -1.26 -5.03 117.98 121.16 1gk1 s PHE 520 Ca 0.01 0.12 -0.24 0.00 -0.96 0.00 0.00 56.93 55.87 1gk1 s PHE 520 Cb -0.15 -2.36 0.06 0.00 -0.34 0.00 0.00 43.02 40.22 1gk1 s PHE 520 CO -0.08 -0.13 1.26 0.15 -1.46 0.00 0.00 175.22 174.96 1gk1 s LYS 521 N 1.65 3.36 0.00 10.12 3.01 -1.26 -5.38 119.74 131.23 1gk1 s LYS 521 Ca 0.07 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.20 1gk1 s LYS 521 Cb -0.16 -4.66 0.00 0.00 -1.01 0.00 0.00 37.83 32.00 1gk1 s LYS 521 CO 0.10 -2.06 0.13 -2.30 0.51 0.00 0.00 175.35 171.73